140-28-3 structure, C16H20N2

benzathine

CAS No.

140-28-3

Formula:

C16H20N2

Basic Info

Benzathine is a diamine used as a component in some medications including benzathine phenoxymethylpenicillin and benzathine benzylpenicillin. It stabilises penicillin and prolongs its sojourn when injected into tissues.

Formula
C16H20N2
Molecular Weight
240.343
Exact Mass
240.163
LogP
3.3478
PSA
24.06
Synonyms

N,N'-DibenzylethylenediaMine

N1,N2-Dibenzylethane-1,2-diamine

1,2-Ethanediamine, N,N‘-bis(phenylmethyl)-

N,N'-dibenzylethane-1,2-diamine

N,N‘-Dibenzylethylenediamine

N,N′-Dibenzylethylenediamine

N,N-Dibenzylethylenediamine

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Properties

Density
1.02
Boiling Point
195ºC (4 mmHg)
Melting Point
23-25ºC
Flash Point
>110ºC
Refractive Index
1.592
Vapor Pressure
9.65E-05mmHg at 25°C

Safety Info

RTECS
KV3325000
Safety Statements
S26
WGK Germany
3
Risk Statements
R22; R36/37/38
HS Code
2921590090
RIDADR
UN 2927
Hazard Class
8
Packing Group
III
Caution Statement
P261; P305 + P351 + P338
Hazard Codes
Hazard Declaration
Caution Statement

MSDS

SDS 1.0
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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name benzathine

1.2 Other means of identification

Product number -
Other names N,N'-DibenzylethylenediaMine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity – single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/…if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
benzathine benzathine 140-28-3 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

no data available

4.3 Indication of immediate medical attention and special treatment needed, if necessary

no data available

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

5.2 Specific hazards arising from the chemical

no data available

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state no data available
Colour no data available
Odour no data available
Melting point/ freezing point -100°C(lit.)
Boiling point or initial boiling point and boiling range 195°C/4mmHg(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 113°C
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility no data available
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 9.65E-05mmHg at 25°C
Density and/or relative density 1.02g/mLat 25°C(lit.)
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

no data available

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

no data available

12.3 Bioaccumulative potential

no data available

12.4 Mobility in soil

no data available

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.2 UN Proper Shipping Name

ADR/RID: unknown
IMDG: unknown
IATA: unknown

14.3 Transport hazard class(es)

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.4 Packing group, if applicable

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
benzathine benzathine 140-28-3 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Not Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Not Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Not Listed.

16.Other information

Information on revision

Creation Date Aug 10, 2017
Revision Date Aug 10, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.
MSDS
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Section I.Chemical Product and Company Identification
    Chemical Name N,N'-Dibenzylethylenediamine
    Portland OR
    Synonym        1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-    
    (CA INDEX NAME)
    Chemical Formula        C16H20N2    
    CAS Number        140-28-3    

Section II.        Composition and Information on Ingredients    
    CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    Chemical Name
    N,N'-Dibenzylethylenediamine        Min. 97.0 Not available.        Mouse LD50 (oral) 388 mg/kg    
    140-28-3
    Mouse LD50 (intraperitoneal) 50
    (GC,T)
    mg/kg

Section III. Hazards Identification
    Corrosive to skin, eyes, and respiratory system. Liquid or spray mist may produce tissue damage, particularly in mucous
    Acute Health Effects
    membranes of the eyes, mouth and respiratory tract. Skin contact may produce burns. Eye contact can result in corneal
    damage or blindness. Inhalation of the spray mist may produce severe irritation of respiratory tract, characterized by
    coughing, choking, or shortness of breath. Corrosive materials may cause serious injury if ingested.
    Toxic if ingested or inhaled. Avoid prolonged contact with this material. Overexposure may result in serious illness or death.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    CARCINOGENIC EFFECTS : Not available.
    Chronic Health Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged contact with spray mist may produce chronic eye irritation and severe skin irritation. Repeated or
    prolonged exposure to spray mist may produce respiratory tract irritation leading to frequent attacks of bronchial infection.
    Repeated exposure to an highly toxic material may produce general deterioration of health by an accumulation in one or
    many human organs.

Section IV.        First Aid Measures    
    Eye Contact        Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15    
    minutes. Get medical attention.
    Skin Contact        In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing    
    and shoes. Wash clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention immediately.
    Inhalation        If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or    
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    DO NOT INDUCE VOMITING. Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing,
    Ingestion
    perform mouth-to-mouth resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible
    indication that the toxic material was ingested; the absence of such signs, however, is not conclusive.

Section V.        Fire and Explosion Data    
    Not available.
    Flammability        May be combustible at high temperature.        Auto-Ignition    
    Flash Points        Flammable Limits        Not available.    
    >113°C (235.4°F)
    Combustion Products        These products are toxic carbon oxides (CO, CO2), nitrogen oxides (NO, NO2).    
    Fire Hazards
    Not available.
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards
    Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media        SMALL FIRE: Use DRY chemical powder.    
    LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
    and Instructions
    Consult with local fire authorities before attempting large scale fire-fighting operations.
    Continued on Next Page
    N,N'-Dibenzylethylenediamine

Section VI.        Accidental Release Measures    
    Spill Cleanup        Corrosive material. Toxic material. Hygroscopic material. Air sensitive material.    
    Stop leak if without risk. If the product is in its solid form: Use a shovel to put the material into a convenient waste disposal
    Instructions
    container. If the product is in its liquid form: Absorb with DRY earth, sand or other non-combustible material. DO NOT get
    water inside container. Absorb with an inert material and put the spilled material in an appropriate waste disposal. DO NOT
    touch spilled material. Use water spray curtain to divert vapor drift. Use water spray to reduce vapors. Prevent entry into
    sewers, basements or confined areas; dike if needed. Eliminate all sources of ignition. Consult federal, state, and/or local
    authorities for assistance on disposal.

Section VII. Handling and Storage
    CORROSIVE. TOXIC. HYGROSCOPIC. AIR SENSITIVE. STORE UNDER ARGON. Keep locked up. Keep container dry.
    Handling and Storage
    Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a dry, cool
    Information
    place. Avoid excessive heat and light. DO NOT ingest. Do not breathe gas/fumes/ vapor/spray. Never add water to this
    product. Wear suitable protective clothing. If ingested, seek medical advice immediately and show the container or the label.
    Treat symptomatically and supportively.
    Always store away from incompatible compounds such as oxidizing agents, acids, moisture.

Section VIII. Exposure Controls/Personal Protection
    Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their respective
    Engineering Controls
    threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
    Face shield. Lab coat. Vapor respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be used to avoid
    Personal Protection
    inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this
    product.
    Exposure Limits        Not available.    

Section IX. Physical and Chemical Properties
    Solid. (Clear, colorless.)        Solubility    
    Physical state @ 20°C        Insoluble in water.    
    Freely soluble in the usual organic solvents
    1.03 (water=1)        except carbon disulfide, with which it gives    
    Specific Gravity
    a solid addition product.
    Molecular Weight        240.34        Partition Coefficient        Not available.    
    Boiling Point        175°C (347°F) @ 2 mmHg        Vapor Pressure        Not available.    
    Melting Point        23°C (73.4°F) (freezing point)        Vapor Density        Not available.    
    1.56        Not available.    
    Refractive Index        Volatility    
    Critical Temperature        Not available.        Odor        Not available.    
    Not available.        Not available.    
    Viscosity        Taste    

Section X.        Stability and Reactivity Data    
    Stability    
This material is stable if stored under proper conditions. (See Section VII for instructions)    
    Conditions of Instability        Avoid excessive heat and light. Hygroscopic; keep container tightly closed. Air sensitive.    
    Incompatibilities
    Reactive with oxidizing agents, acids, moisture, acid chlorides, acid anhydrides, chloroformates.

Section XI. Toxicological Information
    RTECS Number        KV3325000    
    Eye Contact. Ingestion. Inhalation. Skin contact.
    Routes of Exposure
    Toxicity Data        Mouse LD50 (oral) 388 mg/kg    
    Mouse LD50 (intraperitoneal) 50 mg/kg
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged contact with spray mist may produce chronic eye irritation and severe skin irritation. Repeated or
    prolonged exposure to spray mist may produce respiratory tract irritation leading to frequent attacks of bronchial infection.
    Repeated exposure to an highly toxic material may produce general deterioration of health by an accumulation in one or many
    human organs.
    Acute Toxic Effects        Corrosive to skin, eyes, and respiratory system. Liquid or spray mist may produce tissue damage, particularly in mucous    
    membranes of the eyes, mouth and respiratory tract. Skin contact may produce burns. Eye contact can result in corneal
    damage or blindness. Inhalation of the spray mist may produce severe irritation of respiratory tract, characterized by
    coughing, choking, or shortness of breath. Corrosive materials may cause serious injury if ingested.
    Toxic if ingested or inhaled. Avoid prolonged contact with this material. Overexposure may result in serious illness or death.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    Continued on Next Page
    N,N'-Dibenzylethylenediamine

Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    Not available.
    Environmental Fate

Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
    Waste Disposal
    combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
    federal, state and local regulations when disposing of the substance.

Section XIV. Transport Information
    DOT Classification        DOT Class 8: Corrosive material    
    PIN Number
    Proper Shipping Name        Amines, liquid, corrosive, n.o.s.    
    III
    Packing Group (PG)
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This compound is ON the EPA Toxic Substances Control Act (TSCA) inventory list.    
    (EPA)
    WHMIS Classification        CLASS D-1B: Material causing immediate and serious toxic effects (TOXIC).    
    CLASS E: Corrosive liquid.
    (Canada)
    On NDSL.
    EINECS Number (EEC) 205-408-4
    EEC Risk Statements        R23/24/25- Toxic by inhalation, in contact with skin and if swallowed.    
    R34- Causes burns.


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum 1H NMR : Predict
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Synthesis Route

Toxicity

ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - mouse
Dose/Duration
388 mg/kg
Toxic Effects
Behavioral--convulsions or effect on seizure threshold
Reference
Cancer Chemotherapy Reports. (Bethesda, MD) V.1-52, 1959-68. For publisher information, see CTRRDO. Volume(issue)/page/year: 52,579,1968

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