19387-91-8 structure, C8H13N3O4S

1-(2-ethylsulfonylethyl)-2-methyl-5-nitroimidazole

CAS No.

19387-91-8

Formula:

C8H13N3O4S

Basic Info

Tinidazole is an anti-parasitic drug used against protozoan infections. It is widely known throughout Europe and the developing world as a treatment for a variety of amoebic and parasitic infections. It was developed in 1972. A derivative of 2-methylimidazole, it is a prominent member of the nitroimidazole antibiotics.
Tinidazole is marketed by Mission Pharmacal under the brand name Tindamax, by Pfizer under the names Fasigyn and Simplotan, and in some Asian countries as Sporinex.

Formula
C8H13N3O4S
Molecular Weight
247.272
Exact Mass
247.063
LogP
2.1384
PSA
106.16
Synonyms

Bioshik

tinidazole

Fasigyn

1-(2-(Ethylsulfonyl)ethyl)-2-methyl-5-nitro-1H-imidazole

Tinidazolum

Simplotan

Tinidazol

Tindamax

Fasigin

Tricolam

1-[2-(Ethylsulfonyl)ethyl]-2-methyl-5-nitroimidazole

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Properties

Appearance & Physical State
almost white or pale yellow, crystalline powder
Density
1.43 g/cm3
Boiling Point
528.4ºC at 760 mmHg
Melting Point
125ºC to 128ºC
Flash Point
273.4ºC
Refractive Index
1.599
Stability
Stable. Incompatible with strong oxidizing agents.
Storage Condition
Keep tightly closed.
Vapor Pressure
1E-10mmHg at 25°C

Safety Info

RTECS
NI6255000
Safety Statements
S26-S36
WGK Germany
3
Risk Statements
R20/21/22; R40
HS Code
2933290090
Hazard Codes

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 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(2-ethylsulfonylethyl)-2-methyl-5-nitroimidazole

1.2 Other means of identification

Product number -
Other names Simplotan

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 - Dermal, Category 4

Acute toxicity - Inhalation, Category 4

Germ cell mutagenicity, Category 2

Carcinogenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H312 Harmful in contact with skin

H332 Harmful if inhaled

H341 Suspected of causing genetic defects

H351 Suspected of causing cancer

Precautionary statement(s)
Prevention

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.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

Response

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

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

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

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

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

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

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
1-(2-ethylsulfonylethyl)-2-methyl-5-nitroimidazole 1-(2-ethylsulfonylethyl)-2-methyl-5-nitroimidazole 19387-91-8 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 almost white or pale yellow, crystalline powder
Colour no data available
Odour no data available
Melting point/ freezing point 311°C(lit.)
Boiling point or initial boiling point and boiling range 126°C/18mmHg(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 46°C(lit.)
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 1E-10mmHg at 25°C
Density and/or relative density 1.43 g/cm3
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: UN3295 IMDG: UN3295 IATA: UN3295

14.2 UN Proper Shipping Name

ADR/RID: HYDROCARBONS, LIQUID, N.O.S.
IMDG: HYDROCARBONS, LIQUID, N.O.S.
IATA: HYDROCARBONS, LIQUID, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 3 IMDG: 3 IATA: 3

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

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
1-(2-ethylsulfonylethyl)-2-methyl-5-nitroimidazole 1-(2-ethylsulfonylethyl)-2-methyl-5-nitroimidazole 19387-91-8 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Not Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Not Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Not Listed.

16.Other information

Information on revision

Creation Date Aug 11, 2017
Revision Date Aug 11, 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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    Version 1.2
    Regulation (EC) No 1907/2006

    1 - Product and Company Information

    Product Name        TINIDAZOLE    

    2 - Hazards Identification

    SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
    Harmful by inhalation, in contact with skin and if swallowed.
    Limited evidence of a carcinogenic effect.

    3 - Composition/Information on Ingredients

    Product Name        CAS #        EC no        Annex I    
    Index Number
    TINIDAZOLE        19387-91-8 243-014-4 None    
    Formula        C8H13N3O4S    
    Molecular Weight 247,3000 AMU
    Synonyms        Bioshik * CP 12574 * Ethyl    
    (2-(2-methyl-5-nitro-1-imidazolyl)ethyl)sulfone
    *
    1-(2-(Ethylsulfonyl)-ethyl)-2-methyl-5-nitroimida
    zole * Fasigin * Fasigyn * 1H-Imidazole,
    1-(2-(ethylsulfonyl)ethyl)-2-methyl-5-nitro- *
    Pletil * Simplotan * Sorquetan * Tinidazol *
    Tinidazole * Tricolam * Trimonase

    4 - First Aid Measures

    AFTER INHALATION
    If inhaled, remove to fresh air. If not breathing give
    artificial respiration. If breathing is difficult, give oxygen.
    AFTER SKIN CONTACT
    In case of skin contact, flush with copious amounts of water for
    at least 15 minutes. Remove contaminated clothing and shoes.
    Call a physician.
    AFTER EYE CONTACT
    In case of contact with eyes, flush with copious amounts of
    SIGMA        www.molbase.com    
    water for at least 15 minutes. Assure adequate flushing by
    separating the eyelids with fingers. Call a physician.
    AFTER INGESTION
    If swallowed, wash out mouth with water provided person is
    conscious. Call a physician.

    5 - Fire Fighting Measures

    EXTINGUISHING MEDIA
    Suitable: Water spray. Carbon dioxide, dry chemical powder, or
    appropriate foam.
    SPECIAL RISKS
    Specific Hazard(s): Emits toxic fumes under fire conditions.
    SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
    Wear self-contained breathing apparatus and protective clothing
    to prevent contact with skin and eyes.

    6 - Accidental Release Measures

    PERSONAL PRECAUTION PROCEDURES TO BE FOLLOWED IN CASE OF LEAK OR SPILL
    Evacuate area.
    PROCEDURE(S) OF PERSONAL PRECAUTION(S)
    Wear self-contained breathing apparatus, rubber boots, and heavy
    rubber gloves.
    METHODS FOR CLEANING UP
    Sweep up, place in a bag and hold for waste disposal. Avoid
    raising dust. Ventilate area and wash spill site after material
    pickup is complete.

    7 - Handling and Storage

    HANDLING
    Directions for Safe Handling: Do not breathe dust. Avoid contact
    with eyes, skin, and clothing. Avoid prolonged or repeated
    exposure.
    STORAGE
    Conditions of Storage: Keep tightly closed.

    8 - Exposure Controls / Personal Protection

    ENGINEERING CONTROLS
    Safety shower and eye bath. Mechanical exhaust required.
    GENERAL HYGIENE MEASURES
    Wash thoroughly after handling.
    PERSONAL PROTECTIVE EQUIPMENT
    Respiratory Protection: Use respirators and components tested and
    approved under appropriate government standards such as NIOSH (US)
    or CEN (EU). Where risk assessment shows air-purifying respirators
    are appropriate use a dust mask type N95 (US) or type P1 (EN 143)
    respirator.
    Hand Protection: Compatible chemical-resistant gloves.
    Eye Protection: Chemical safety goggles.
    SIGMA        www.molbase.com    

    9 - Physical and Chemical Properties

    Appearance        Physical State: Solid    
    Property        Value        At Temperature or Pressure    
    pH N/A
    BP/BP Range        N/A    
    MP/MP Range        N/A    
    Flash Point        N/A    
    Flammability        N/A    
    Autoignition Temp        N/A    
    Oxidizing Properties N/A
    Explosive Properties N/A
    Explosion Limits        N/A    
    Vapor Pressure        N/A    
    Partition Coefficient N/A
    Viscosity        N/A    
    Vapor Density        N/A    
    Saturated Vapor Conc. N/A
    Evaporation Rate        N/A    
    Bulk Density        N/A    
    Decomposition Temp.        N/A    
    Solvent Content        N/A    
    Water Content        N/A    
    Surface Tension        N/A    
    Conductivity        N/A    
    Miscellaneous Data        N/A    
    Solubility        N/A    

    10 - Stability and Reactivity

    STABILITY
    Stable: Stable.
    Materials to Avoid: Strong oxidizing agents.
    HAZARDOUS DECOMPOSITION PRODUCTS
    Hazardous Decomposition Products: Carbon monoxide, carbon dioxide,
    and nitrogen oxides.
    HAZARDOUS POLYMERIZATION
    Hazardous Polymerization: Will not occur

    11 - Toxicological Information

    RTECS NUMBER: NI6255000
    ACUTE TOXICITY
    LD50
    Oral
    Rat
    2710,000000 mg/kg
    Remarks: Lungs, Thorax, or Respiration:Cyanosis.
    Behavioral:Convulsions or effect on seizure threshold.
    Gastrointestinal:Changes in structure or function of salivary
    glands.
    LD50
    SIGMA        www.molbase.com    
    Intraperitoneal
    Rat
    2720 MG/KG
    Remarks: Behavioral:Convulsions or effect on seizure threshold.
    Lungs, Thorax, or Respiration:Cyanosis. Gastrointestinal:Changes
    in structure or function of salivary glands.
    LD50
    Subcutaneous
    Rat
    3 GM/KG
    Remarks: Behavioral:Convulsions or effect on seizure threshold.
    Lungs, Thorax, or Respiration:Cyanosis. Gastrointestinal:Changes
    in structure or function of salivary glands.
    LD50
    Intravenous
    Rat
    >250 MG/KG
    Remarks: Lungs, Thorax, or Respiration:Cyanosis.
    Behavioral:Somnolence (general depressed activity).
    Behavioral:Convulsions or effect on seizure threshold.
    LD50
    Oral
    Mouse
    3200,000000 mg/kg
    Remarks: Behavioral:Somnolence (general depressed activity).
    Behavioral:Tremor. Behavioral:Ataxia.
    LD50
    Intraperitoneal
    Mouse
    2730 MG/KG
    Remarks: Behavioral:Convulsions or effect on seizure threshold.
    Lungs, Thorax, or Respiration:Cyanosis. Gastrointestinal:Changes
    in structure or function of salivary glands.
    LD50
    Subcutaneous
    Mouse
    3940 MG/KG
    Remarks: Behavioral:Convulsions or effect on seizure threshold.
    Lungs, Thorax, or Respiration:Cyanosis. Gastrointestinal:Changes
    in structure or function of salivary glands.
    LD50
    Intravenous
    Mouse
    >250 MG/KG
    Remarks: Behavioral:Somnolence (general depressed activity).
    Behavioral:Convulsions or effect on seizure threshold. Lungs,
    Thorax, or Respiration:Cyanosis.
    SIGNS AND SYMPTOMS OF EXPOSURE
    Exposure can cause: Urticaria, flushing, pruritus, dysuria,
    cystitis, dryness of the mouth, dizziness, vertigo, and very
    rarely, incoordination and ataxia, a metallic, sharp, unpleasant
    taste, furry tongue, glossitis, and stomatitis. Exposure to
    and/or consumption of alcohol may increase toxic effects.
    SIGMA        www.molbase.com    
    Gastrointestinal disturbances. Nausea, headache, and vomiting.
    To the best of our knowledge, the chemical, physical, and
    toxicological properties have not been thoroughly investigated.
    ROUTE OF EXPOSURE
    Skin Contact: May cause skin irritation.
    Skin Absorption: Harmful if absorbed through skin.
    Eye Contact: May cause eye irritation.
    Inhalation: Harmful if inhaled. Material may be irritating to
    mucous membranes and upper respiratory tract.
    Ingestion: Harmful if swallowed.
    CHRONIC EXPOSURE - MUTAGEN
    Mouse
    50 MG/KG
    Intraperitoneal
    Micronucleus test
    CHRONIC EXPOSURE - TERATOGEN
    Species: Rat
    Dose: 3 GM/KG
    Route of Application: Oral
    Exposure Time: (9-14D PREG)
    Result: Effects on Embryo or Fetus: Fetal death.
    Species: Rat
    Dose: 12 GM/KG
    Route of Application: Oral
    Exposure Time: (9-14D PREG)
    Result: Specific Developmental Abnormalities: Musculoskeletal
    system.
    Species: Mouse
    Dose: 3 GM/KG
    Route of Application: Oral
    Exposure Time: (7-12D PREG)
    Result: Effects on Embryo or Fetus: Fetotoxicity (except death,
    e.g., stunted fetus).
    Species: Mouse
    Dose: 15 GM/KG
    Route of Application: Oral
    Exposure Time: (7-12D PREG)
    Result: Specific Developmental Abnormalities: Musculoskeletal
    system.

    12 - Ecological Information

    No data available.

    13 - Disposal Considerations

    SUBSTANCE DISPOSAL
    Contact a licensed professional waste disposal service to dispose
    of this material. Dissolve or mix the material with a combustible
    solvent and burn in a chemical incinerator equipped with an
    afterburner and scrubber. Observe all federal, state, and local
    environmental regulations.
    SIGMA        www.molbase.com    

    14 - Transport Information

    RID/ADR
    Non-hazardous for road transport.
    IMDG
    Non-hazardous for sea transport.
    IATA
    Non-hazardous for air transport.

    15 - Regulatory Information

    CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
    INDICATION OF DANGER: Xn
    Harmful.
    R-PHRASES: 20/21/22-40
    Harmful by inhalation, in contact with skin and if swallowed.
    Limited evidence of a carcinogenic effect.
    S-PHRASES: 26-36
    In case of contact with eyes, rinse immediately with plenty of
    water and seek medical advice. Wear suitable protective
    clothing.
    COUNTRY SPECIFIC INFORMATION
    Germany
    WGK: 3
    Self-Classification

    16 - Other Information

    WARRANTY
    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. Inc.,
    shall not be held liable for any damage resulting from handling or
    from contact with the above product. See reverse side of invoice
    or packing slip for additional terms and conditions of sale.
    Copyright 2010 Co. License granted to make
    unlimitedpaper copies for internal use only.
    DISCLAIMER
    For R&D use only. Not for drug, household or other uses.
    SIGMA        www.molbase.com    


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum 1H NMR : Predict
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