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106-95-6

106-95-6 Structure

106-95-6 Structure
IdentificationMore
[Name]

Allyl bromide
[CAS]

106-95-6
[Synonyms]

2-PROPENYL BROMIDE
3-BROMO-1-PROPENE
3-BROMOPROPENE
3-BROMOPROPYLENE
ALLYL BROMIDE
BROMALLYLENE
1-Bromo-2-propene
1-Propene,3-bromo-
3-bromo-1-propen
3-bromo-prop-1-ene
3-bromo-propen
3-Brompropen
Allylbromid
allylbromide(3-bromopropene)
bromo-3propene
Bromoallylene
CH2=CHCH2Br
Propene, 3-bromo-
Propene,3-bromo-
ALLYL BROMIDE, REAGENTPLUS, 99%
[EINECS(EC#)]

203-446-6
[Molecular Formula]

C3H5Br
[MDL Number]

MFCD00000244
[Molecular Weight]

120.98
[MOL File]

106-95-6.mol
Chemical PropertiesBack Directory
[Appearance]

Allyl bromide is a highly flammable, colorless to light yellow liquid with an unpleasant, pungent odor.
[Appearance]

Colorless liquid
[Melting point ]

-119 °C
[mp ]

-119 °C
[Boiling point ]

70-71 °C(lit.)
[bp ]

70-71 °C(lit.)
[density ]

1.398 g/mL at 25 °C(lit.)
[vapor density ]

4.2 (vs air)
[refractive index ]

n20/D 1.469(lit.)
[Fp ]

28 °F
[storage temp. ]

2-8°C
[form ]

Liquid
[color ]

Clear colorless to slightly colored
[Specific Gravity]

1.398
[Stability:]

Stable. Flammable. Incompatible with strong oxidizing agents.
[Odor]

unpleasant
[explosive limit]

4.3-7.3%(V)
[Water Solubility ]

insoluble
[Sensitive ]

Light Sensitive
[Merck ]

14,288
[BRN ]

605308
[InChIKey]

BHELZAPQIKSEDF-UHFFFAOYSA-N
[CAS DataBase Reference]

106-95-6(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Propene, 3-bromo-(106-95-6)
[EPA Substance Registry System]

106-95-6(EPA Substance)
Hazard InformationBack Directory
[Chemical Properties]

Allyl bromide is a clear to light yellow liquid. As an alkylating agent, allyl bromide is used extensively in the synthesis of polymers, pharmaceuticals, allyls, and other organic compounds. Allyl bromide is a clear liquid with an intense, acrid, persistent smell and is flammable. It is insoluble in water, but soluble in alcohol, aether, acetone, carbon tetrachloride, and chloroform. In fact, allyl bromide is used in the synthesis of other allyl compounds, to synthesize dyestuff, spice, and as a curative in the medicine industry. Allyl bromide has a very high mobility in soil. It is also used as a soil fumigant and as a contact poison. Allyl bromide induces unscheduled DNA synthesis in HeLa cells.
[General Description]

A clear colorless to light yellow liquid with an irritating unpleasant odor. Flash point 30°F. Irritates eyes, skin, and respiratory system. Toxic by skin absorption. Denser than water and slightly soluble in water.
[Reactivity Profile]

ALLYL BROMIDE(106-95-6) decomposes upon heating and exposure to light, forming HBr (a strong reducing agent). Reacts violently with oxidizing agents. Can react exothermically with reducing agents to release hydrogen gas. In the presence of various catalysts (such as acids) or initiators, may undergo exothermic addition polymerization reactions.
[Air & Water Reactions]

Highly flammable. Slightly soluble in water.
[Hazard]

Strong irritant to skin and eyes, flammable, high fire risk. Upper respiratory tract irritant. Ques- tionable carcinogen.
[Health Hazard]

Inhalation of vapor irritates mucous membranes and causes dizziness, headache, and lung irritation. Contact with liquid irritates eyes and skin. Ingestion causes irritation of mouth and stomach.
[Health Hazard]

Exposures to allyl bromide cause severe eye and skin burns, irritation to the eyes, skin, and respiratory system. It is harmful when absorbed through the skin or inhaled in the workplace. Laboratory rats exposed for a prolonged period of time developed symptoms of poisoning, such as excessive salivation in a small number of animals, and severe gastric irritation. Vapors of allyl bromide may cause dizziness or suffocation, headache, coughing, and distressed breathing.
[Potential Exposure]

Used as an insecticide; in the manufacture of resins, fragrances, and other chemicals
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit. Medical observation is recommended for 24 to 48 hours after breathing overexposure, as pulmonary edema may be delayed. As first aid for pulmonary edema, a doctor or authorized paramedic may consider administering a drug or other inhalation therapy.
[Shipping]

UN1099 Allyl bromide, Hazard Class: 3; Labels: 3-Flammable liquid, 6.1-Poisonous materials
[Incompatibilities]

Vapor may form explosive mixture with air. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides. Heat or light exposure may cause decomposition and corrosive vapors.
[Waste Disposal]

In accordance with 40CFR 165 recommendations for the disposal of pesticides and pesticide containers. Must be disposed properly by following package label directions or by contacting your local or federal environmental control agency, or by contacting your regional EPA office.
[Uses]

manufacture of synthetic perfumes, other allyl compounds.
[Uses]

Allyl Bromide is used as a reagent in the synthesis of Resveratrol derivatives. Resveratrol (R150000) is a minor constituent of wine, correlated with serum lipid reduction and inhibition of platelet a ggregation. Resveratrol is a specific inhibitor of COX-1, and it also inhibits the hydroperoxidase activity of COX-1. It has been shown to inhibit events associated with tumor initiation, promotion a nd progression.
[Purification Methods]

Wash the bromide with NaHCO3 solution then distilled water, dry (CaCl2 or MgSO4), and fractionally distil. Protect it from strong light. [Beilstein 1 IV 754.] LACHRYMATORY, HIGHLY TOXIC and FLAMMABLE.
Safety DataBack Directory
[Hazard Codes ]

F,T,N
[Risk Statements ]

R11:Highly Flammable.
R23/25:Toxic by inhalation and if swallowed .
R34:Causes burns.
R50:Very Toxic to aquatic organisms.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 1099 3/PG 1
[WGK Germany ]

2
[RTECS ]

UC7090000
[F ]

8-19
[Autoignition Temperature]

554 °F
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

I
[HS Code ]

29033036
[storage]

Allyl bromide should be stored separate from oxidizing materials and alkalis in a cool, dry, well-ventilated location in tightly closed containers.
[Precautions]

Workers should wear positive pressure self-contained breathing apparatus (SCBA), goggles and a face shield, protective clothing for high concentrations of vapor, chemical protective clothing that is specifi cally recommended by the manufacturer to avoid poisoning. Workers should be careful as allyl bromide reacts with oxidizing materials and alkalis.
[Safety Profile]

Poison by ingestion and intraperitoneal routes. Mdly toxic by inhalation. Human mutation data reported. See also ALLYL CHLORIDE and ALLYL COMPOUNDS. Dangerous fire and explosion hazard when exposed to heat, flame, or oxidizers. When heated to decomposition it emits toxic fumes of Br-. To fight fire, use alcohol foam, water spray or mist, CO2, dry chemical
[Hazardous Substances Data]

106-95-6(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: 120 mg/kg
Raw materials And Preparation ProductsBack Directory
【Raw materials】

Allyl alcohol
【Preparation Products】

(+)-DISPARLURE-->Bergapten-->Eugenol-->cis-Anethol-->1-OCTENE-->Allyl isothiocyanate-->XANTHOTOXOL-->3-HYDROXY-3-METHYLGLUTARIC ACID-->Nedocromil-->clopenthixol-->Allylbenzene-->Fluorochloridone-->3-Bromo-2-methoxy-propene-->4-ALLYL-PIPERIDINE-1,4-DICARBOXYLIC ACID MONO-TERT-BUTYL ESTER-->3-ALLYLSALICYLALDEHYDE-->Rocuronium bromide-->Diallyl phthalate-->4-Allylanisole-->2,6-OCTADIENE-->7-ALLYLOXYCOUMARIN-->1-ALLYLOXY-2-METHOXY-BENZENE-->3-Butenenitrile-->Allyltrimethylsilane
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Bromopropene(106-95-6).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Allyl bromide(106-95-6) 13C NMR
Allyl bromide(106-95-6) MS
Allyl bromide(106-95-6) 1H NMR
Allyl bromide(106-95-6) IR1
Allyl bromide(106-95-6) ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Allylbromide,stabilized,99%(106-95-6)
[Alfa Aesar]

Allyl bromide, 99%(106-95-6)
[Sigma Aldrich]

106-95-6(sigmaaldrich)
[TCI AMERICA]

Allyl Bromide,>98.0%(GC)(106-95-6)
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