851942-89-7 structure, C42H36BrF6N

4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinapht ho[2,1-c:1',2'-e]azepinium bromide

CAS No.

851942-89-7

Formula:

C42H36BrF6N

Basic Info

Formula
C42H36BrF6N
Molecular Weight
748.636
Exact Mass
747.194
LogP
9.222
PSA
0

Properties

Melting Point
224-229ºC

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 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinapht ho[2,1-c:1',2'-e]azepinium bromide

1.2 Other means of identification

Product number -
Other names -

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

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinapht ho[2,1-c:1',2'-e]azepinium bromide 4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinapht ho[2,1-c:1',2'-e]azepinium bromide 851942-89-7 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 224-229ºC
Boiling point or initial boiling point and boiling range no data available
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point no data available
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 no data available
Density and/or relative density no data available
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: no data available IMDG: no data available IATA: no data available

14.2 UN Proper Shipping Name

ADR/RID: no data available
IMDG: no data available
IATA: no data available

14.3 Transport hazard class(es)

ADR/RID: no data available IMDG: no data available IATA: no data available

14.4 Packing group, if applicable

ADR/RID: no data available IMDG: no data available IATA: no data available

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
4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinapht ho[2,1-c:1',2'-e]azepinium bromide 4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinapht ho[2,1-c:1',2'-e]azepinium bromide 851942-89-7 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Not Listed.
EC Inventory Not 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) 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 19, 2017
Revision Date Aug 19, 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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    1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product name      : (11bS)-(+)-4,4-Dibutyl-4,5-dihydro-2,6-bis(3,4,5-    
  trifluorophenyl)-3H-dinaphth[2,1-c:1′,2′-e]azepinium
  bromide
  Company      : (Shanghai) Trading Co.,Ltd    
  41F K. Wah Centrre
  1010 Huai Hai Zhong Road
  200031 SHANGHAI
  CHINA
  Telephone      : +86 21-61415566    
  Fax      : +86 21-61415567    
  Emergency Phone #      : +8621-61415560    
  E-mail address      : china@sial.com    
    2. HAZARDS IDENTIFICATION
  This substance is not classified as dangerous according to Directive 67/548/EEC.
    3. COMPOSITION/INFORMATION ON INGREDIENTS
  Formula      : C42H36BrF6N    
  Molecular Weight      : 748,64 g/mol    
  CAS-No.      EC-No.      Index-No.      Classification      Concentration    
    (11bS)-(+)-4,4-Dibutyl-4,5-dihydro-2,6-bis(3,4,5-trifluorophenyl)-3H-dinaphth[2,1-c:1',2'-e]azepinium
    bromide
  851942-89-7      -      -      -      -    
    4. FIRST AID MEASURES
    If inhaled
  If breathed in, move person into fresh air. If not breathing give artificial respiration
    In case of skin contact
  Wash off with soap and plenty of water.
    In case of eye contact
  Flush eyes with water as a precaution.
    If swallowed
  Never give anything by mouth to an unconscious person. Rinse mouth with water.
   - 677086
    5. FIRE-FIGHTING MEASURES
    Suitable extinguishing media
  Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
    Special protective equipment for fire-fighters
  Wear self contained breathing apparatus for fire fighting if necessary.
    6. ACCIDENTAL RELEASE MEASURES
    Personal precautions
  Avoid dust formation.
    Environmental precautions
  Do not let product enter drains.
    Methods for cleaning up
  Sweep up and shovel. Keep in suitable, closed containers for disposal.
    7. HANDLING AND STORAGE
    Handling
  Provide appropriate exhaust ventilation at places where dust is formed. Normal measures for preventive fire
  protection.
    Storage
  Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
  Moisture sensitive.
    8. EXPOSURE CONTROLS/PERSONAL PROTECTION
    Personal protective equipment
    Respiratory protection
  Respiratory protection is not required. Where protection from nuisance levels of dusts are desired, use type
  N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and approved under
  appropriate government standards such as NIOSH (US) or CEN (EU).
    Hand protection
  For prolonged or repeated contact use protective gloves.
    Eye protection
  Safety glasses
    Hygiene measures
  General industrial hygiene practice.
    9. PHYSICAL AND CHEMICAL PROPERTIES
    Appearance
  Form      powder    
  Colour      off-white    
    Safety data
  pH      no data available    
  Melting point      224 - 229 °C    
  Boiling point      no data available    
  Flash point      no data available    
  Ignition temperature      no data available    
   - 677086
  Lower explosion limit      no data available    
  Upper explosion limit      no data available    
  Water solubility      no data available    
    10. STABILITY AND REACTIVITY
    Storage stability
  Stable under recommended storage conditions.
    Materials to avoid
  Strong oxidizing agents
    Hazardous decomposition products
  Hazardous decomposition products formed under fire conditions. - Carbon oxides, nitrogen oxides (NOx),
  Hydrogen bromide gas, Hydrogen fluoride
    11. TOXICOLOGICAL INFORMATION
    Acute toxicity
  no data available
    Irritation and corrosion
  no data available
    Sensitisation
  no data available
    Chronic exposure
  IARC:      No component of this product present at levels greater than or equal to 0.1% is identified as    
  probable, possible or confirmed human carcinogen by IARC.
    Potential Health Effects
    Inhalation
  May be harmful if inhaled. May cause respiratory tract irritation.
    Skin      May be harmful if absorbed through skin. May cause skin irritation.    
    Eyes
  May cause eye irritation.
    Ingestion      May be harmful if swallowed.    
    12. ECOLOGICAL INFORMATION
    Elimination information (persistence and degradability)
  no data available
    Ecotoxicity effects
  no data available
    Further information on ecology
  no data available
    13. DISPOSAL CONSIDERATIONS
    Product
  Observe all federal, state, and local environmental regulations.
    Contaminated packaging
  Dispose of as unused product.
   - 677086
    14. TRANSPORT INFORMATION
    ADR/RID
  Not dangerous goods
    IMDG
  Not dangerous goods
    IATA
  Not dangerous goods
    15. REGULATORY INFORMATION
    Labelling according to EC Directives
  Further information:
  The product does not need to be labelled in accordance with EC directives or respective national laws.
  Caution - substance not yet tested completely.
    16. OTHER INFORMATION
    Further information
  Copyright 2010 Co. License granted to make unlimited paper copies for internal use only.
  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. Co., 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.
   - 677086


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum 1H NMR : Predict
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