106-96-7 structure, C3H3Br
3-Bromopropyne
CAS No.: 106-96-7 Formula: C3H3Br Molecular Weight: 118.96000
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3-Bromopropyne

CAS No.:

106-96-7

Formula:

C3H3Br

Molecular Weight: 118.96000
Suppliers: All (57) China Suppliers (57) Price Available (13) Contractor (4)

Description

Propargyl bromide, also known as 3-bromo-1-propyne, is an organic compound with the chemical formula CHCCH2Br. It is a halogenated organic compound consisting of an alkyl functional group with 2-propynyl group linked to bromide. It has a lachrymatory effect, like related compounds. The compound is a useful reagent in organic synthesis.

Basic Info

Chemical Name

3-Bromopropyne

Synonyms

1-Propyne, 3-bromo-; 3-bromoprop-1-yne; 3-Bromo-1-propyne; Propargyl bromide;

CAS No.

106-96-7

Molecular Formula

C3H3Br

Molecular Weight

118.96000

PSA

0.00000

LogP

1.01450

Numbering system

EINECS number 203-447-1
MDL number MFCD00000241
BRN number 605309
RTECS number UK4375000

Properties

Appearance & Physical State

clear to yello liquid

Density

1.335

Boiling Point

88-90ºC

Melting Point

-61ºC

Flash Point

18ºC

Refractive Index

1.4905

Stability

When propargyl bromide is diluted with 20-30% by weight of toluene, its explosive properties are practically eliminated.

Storage Condition

Refrigerator

Vapor Pressure

64.6mmHg at 25°C

Safety Info

RTECS

UK4375000

Hazard Class

3

Safety Statements

S16-S26-S28-S37/39-S45

HS Code

2903399090

Packing Group

II

WGK Germany

3

RIDADR

UN 2345

Risk Statements

R11; R25; R36/37/38; R63

Hazard Codes

F; T

Caution Statement

P210; P260; P280; P370 + P378; P403 + P235

Hazard Declaration

H225; H301; H304; H315; H319; H335; H336; H361d; H373

Signal Word

Danger

Symbol

GHS02, GHS06, GHS08

SDS 1.0

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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 3-Bromopropyne

1.2 Other means of identification

Product number -
Other names 1-Propyne, 3-bromo-

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

Flammable liquids, Category 2

Acute toxicity - Oral, Category 3

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

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

H301 Toxic if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

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

P264 Wash ... thoroughly after handling.

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

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

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

Response

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

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

P330 Rinse mouth.

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

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+P235 Store in a well-ventilated place. Keep cool.

P405 Store locked up.

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

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
3-Bromopropyne 3-Bromopropyne 106-96-7 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

This material is very toxic via the oral route. If inhaled, may be harmful; contact may cause burns to skin and eyes. (EPA, 1998)

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

Fire Fighting Procedure: Use water spray, dry chemical, foam, or carbon dioxide. Use fine spray or fog to control fire by preventing its spread and absorbing some of its heat. Application of a water blanket may be effective for extinguishment. Use water spray to keep fire-exposed containers cool. Fight fire from protected location or maximum possible distance. Approach fire from upwind to avoid hazardous vapors and toxic decomposition.

5.2 Specific hazards arising from the chemical

This material detonates at 428F or more; ignites by impact. Emits highly toxic fumes of bromides when heated to decomposition. Reacts vigorously with oxidizing materials. Becomes shock-sensitive when mixed with chloropicrin. Unstable, avoid heat, flame, shock, and other chemicals (EPA, 1998)

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

Absorb the spill with paper towels. ... Place in hood to evaporate material.

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

Unstabilized material should be stored like an explosive. If diluted, material should be stored like a flammable material. Store in a cool, dry, well-ventilated location. Outside or detached storage is preferred. Separate from oxidizing materials. Inside storage should be in a standard flammable liquids storage warehouse, room, or cabinet.

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 clear to yello liquid
Colour Liquid
Odour Sharp odor
Melting point/ freezing point 276°C(lit.)
Boiling point or initial boiling point and boiling range 88-90°C
Flammability no data available
Lower and upper explosion limit / flammability limit Lower flammable limit: 3.0%
Flash point 18°C
Auto-ignition temperature 615 deg F (324°C)
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility Soluble in ethanol, ether, benzene, carbon tetrachloride, and chloroform
Partition coefficient n-octanol/water (log value) log Kow = 1.39 (est)
Vapour pressure 64.6mmHg at 25°C
Density and/or relative density 1.335g/mLat 25°C
Relative vapour density 4.1 (EPA, 1998) (Relative to Air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

When /propargyl bromide/ is ... diluted, ... with 20-30% by weight of toluene, its explosive properties are practically eliminated.

10.3 Possibility of hazardous reactions

Fire and Explosion Hazards: Flammable liquid. Combustion may produce irritants and toxic gases. Closed containers may rupture violently when heated. May be decomposed by mild shock. Decomposes when heated; if diluted with toluene, its explosive properties are practically eliminated.3-BROMOPROPYNE is soluble in alcohol, ether, chloroform, carbon tetrachloride and carbon disulfide. It is highly flammable and a dangerous fire risk, sensitive to shock. It is used in organic syntheses, preparation of resins and perfume intermediates [Hawley]. There is a high danger of formation of explosive metal acetylides, when this compound comes in contact with copper, high-copper alloys, mercury, or silver.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

The aerated liquid may be ignited by pressure.

10.6 Hazardous decomposition products

May be decomposed by mild shock. Decomposes when heated under confinement. Dilution with toluene reduces the explosive tendency of the material.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rabbit oral 168 mg/kg
  • 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

AEROBIC: Biodegradation of 3-bromo-1-propyne is not expected to compete with chemical degradation processes based on similar half-lives measured for this substance in sterile soil (0.37-11 days) and nonsterile soil (0.046-12 days)(1-3).

12.3 Bioaccumulative potential

An estimated BCF of 3 was calculated for 3-bromo-1-propyne(SRC), using a water solubility of 1.49X10+4 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

Koc values of 1.1 and 5.3 were determined for 3-bromo-1-propyne in Linne clay loam (Kd = 0.033, 2.99% organic matter) and Arlington sandy loam (Kd = 0.049, 0.93% organic matter), respectively(1). According to a classification scheme(2), these Koc values suggest that 3-bromo-1-propyne is expected to have very high mobility in soil.

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: UN2345 IMDG: UN2345 IATA: UN2345

14.2 UN Proper Shipping Name

ADR/RID: 3-BROMOPROPYNE
IMDG: 3-BROMOPROPYNE
IATA: 3-BROMOPROPYNE

14.3 Transport hazard class(es)

ADR/RID: 3 IMDG: 3 IATA: 3

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

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
3-Bromopropyne 3-Bromopropyne 106-96-7 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 Listed.
New Zealand Inventory of Chemicals (NZIoC) 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) 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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106-96-7 NMR spectrum
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