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Product No: AA9447

Allyl Bromide, 98%

Name: Allyl Bromide
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

106-95-6

Molecular Weight

120.98

Formula

C3H5Br

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About this item

IUPAC name	3-bromoprop-1-ene
canonical smiles	C=CCBr
inchi	InChI=1S/C3H5Br/c1-2-3-4/h2H,1,3H2
inchi key	BHELZAPQIKSEDF-UHFFFAOYSA-N
molecular formula	C3H5Br
synonyms	ALLYL BROMIDE 106-95-6 3-bromoprop-1-ene 3-Bromopropene 1-Propene, 3-bromo-
Compound Description	Allyl bromide appears as 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. Allyl bromide is an alkyl bromide. It is primarily used as a starting material/chemical intermediate in organic synthesis and as an intermediate in the manufacture of polymers/resins, synthetic perfumes, pharmaceuticals, agricultural chemicals, and other allyl compounds. It has been described as an insecticidal fumigant used in crop protection. Physically, allyl bromide is a clear liquid with an intense, acrid, and persistent smell. It is highly flammable.

Computed Properties

Molecular Weight:	120.98 g/mol
XLogP3:	1.8
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	0
Rotatable Bond Count:	1
Exact Mass:	119.95746 g/mol
Monoisotopic Mass:	119.95746 g/mol
Topological Polar Surface Area:	0 Å²
Heavy Atom Count:	4
Formal Charge:	0
Complexity:	17.2
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Flam. Liq. 2 (92.31%) Acute Tox. 2 (16.92%) Acute Tox. 3 (81.54%) Skin Corr. 1A (78.46%) Skin Irrit. 2 (18.46%) Eye Irrit. 2 (20%) Acute Tox. 2 (27.69%) Acute Tox. 3 (63.08%) STOT SE 3 (20%) Muta. 1A (15.38%) Carc. 1A (21.54%) Aquatic Acute 1 (80%) Flammable liquids - Category 2 Self-reactive substances and mixtures - Type G Acute toxicity (Oral) - Category 3 Acute toxicity (Inhalation: Vapours) - Category 3 Skin corrosion/irritation - Category 1 Serious eye damage/eye irritation - Category 1 Specific target organ toxicity - Single exposure - Category 3 (Respiratory tract irritation) Flammable - 3rd degree, Reactive - 1st degree
precautionary statement codes	P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501
hazard statements	H225 (92.31%): Highly Flammable liquid and vapor [Danger Flammable liquids] H300 (16.92%): Fatal if swallowed [Danger Acute toxicity, oral] H301 (81.54%): Toxic if swallowed [Danger Acute toxicity, oral] H310 (16.92%): Fatal in contact with skin [Danger Acute toxicity, dermal] H314 (78.46%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (18.46%): Causes skin irritation [Warning Skin corrosion/irritation]

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	3-bromoprop-1-ene
canonical smiles	C=CCBr
inchi	InChI=1S/C3H5Br/c1-2-3-4/h2H,1,3H2
inchi key	BHELZAPQIKSEDF-UHFFFAOYSA-N
molecular formula	C3H5Br
synonyms	ALLYL BROMIDE 106-95-6 3-bromoprop-1-ene 3-Bromopropene 1-Propene, 3-bromo-
Compound Description	Allyl bromide appears as 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. Allyl bromide is an alkyl bromide. It is primarily used as a starting material/chemical intermediate in organic synthesis and as an intermediate in the manufacture of polymers/resins, synthetic perfumes, pharmaceuticals, agricultural chemicals, and other allyl compounds. It has been described as an insecticidal fumigant used in crop protection. Physically, allyl bromide is a clear liquid with an intense, acrid, and persistent smell. It is highly flammable.

Computed Properties

Molecular Weight:	120.98 g/mol
XLogP3:	1.8
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	0
Rotatable Bond Count:	1
Exact Mass:	119.95746 g/mol
Monoisotopic Mass:	119.95746 g/mol
Topological Polar Surface Area:	0 Å²
Heavy Atom Count:	4
Formal Charge:	0
Complexity:	17.2
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Flam. Liq. 2 (92.31%) Acute Tox. 2 (16.92%) Acute Tox. 3 (81.54%) Skin Corr. 1A (78.46%) Skin Irrit. 2 (18.46%) Eye Irrit. 2 (20%) Acute Tox. 2 (27.69%) Acute Tox. 3 (63.08%) STOT SE 3 (20%) Muta. 1A (15.38%) Carc. 1A (21.54%) Aquatic Acute 1 (80%) Flammable liquids - Category 2 Self-reactive substances and mixtures - Type G Acute toxicity (Oral) - Category 3 Acute toxicity (Inhalation: Vapours) - Category 3 Skin corrosion/irritation - Category 1 Serious eye damage/eye irritation - Category 1 Specific target organ toxicity - Single exposure - Category 3 (Respiratory tract irritation) Flammable - 3rd degree, Reactive - 1st degree
precautionary statement codes	P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501
hazard statements	H225 (92.31%): Highly Flammable liquid and vapor [Danger Flammable liquids] H300 (16.92%): Fatal if swallowed [Danger Acute toxicity, oral] H301 (81.54%): Toxic if swallowed [Danger Acute toxicity, oral] H310 (16.92%): Fatal in contact with skin [Danger Acute toxicity, dermal] H314 (78.46%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (18.46%): Causes skin irritation [Warning Skin corrosion/irritation]

Product No: AA9447

Allyl Bromide, 98%

Product No: AA9447

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AA9447

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?