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Product No: AB1660

Ethyl bromoacetate, 96%

Name: Ethyl bromoacetate
Brand: Chempure

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CAS Number

105-36-2

Molecular Weight

167.00

Formula

C4H7BrO2

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IUPAC name	ethyl 2-bromoacetate
canonical smiles	CCOC(=O)CBr
inchi	InChI=1S/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3
inchi key	PQJJJMRNHATNKG-UHFFFAOYSA-N
molecular formula	C4H7BrO2
synonyms	Ethyl bromoacetate 105-36-2 ETHYL 2-BROMOACETATE Antol Ethyl bromacetate
Compound Description	Ethyl bromoacetate appears as a clear, colorless liquid. A lachrymator. Toxic by ingestion, inhalation and skin absorption; a strong irritant of the skin. Insoluble in water and soluble in alcohol, benzene, and ether. Ethyl bromoacetate is an organobromide compound. In World War I, ethyl bromoacetate was used as a lachrymatory agent and tear gas agent for chemical warfare. It was also later used as a riot control agent. Today it is mostly used in organic synthesis as an alkylating agent. Bromine is a halogen element with the symbol Br and atomic number 35. Diatomic bromine does not occur naturally, but bromine salts can be found in crustal rock.

Computed Properties

Molecular Weight:	167.00 g/mol
XLogP3:	1.3
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	3
Exact Mass:	165.96294 g/mol
Monoisotopic Mass:	165.96294 g/mol
Topological Polar Surface Area:	26.3 Å²
Heavy Atom Count:	7
Formal Charge:	0
Complexity:	62.7
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. 3 (93.1%) Acute Tox. 2 (100%) Acute Tox. 1 (100%) Acute toxicity (inhalation) - category 2 Acute toxicity (dermal) - category 1 Acute toxicity (ingestion) - category 2 Flammable liquids - Category 3 Serious eye damage/eye irritation - Category 1 Flammable - 2nd degree, Reactive - 1st degree Acute Tox. 1 Acute Tox. 2 *
precautionary statement codes	P210, P233, P240, P241, P242, P243, P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P320, P321, P330, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501
hazard statements	H226 (93.1%): Flammable liquid and vapor [Warning Flammable liquids] H300+H310+H330 (86.21%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral] H310 (100%): Fatal in contact with skin [Danger Acute toxicity, dermal] H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]
hazards summary	A skin, eye, and mucous membrane irritant. Contact with liquid can cause corneal burns. A lachrymator and a strong skin irritant. Highly toxic. A lachrymator--exposure to 8 ppm for more than 1 minute is unbearable. Inhalation of high concentrations may produce acute pneumonitis and pulmonary edema. See Ethyl chloroacetate.

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*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	ethyl 2-bromoacetate
canonical smiles	CCOC(=O)CBr
inchi	InChI=1S/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3
inchi key	PQJJJMRNHATNKG-UHFFFAOYSA-N
molecular formula	C4H7BrO2
synonyms	Ethyl bromoacetate 105-36-2 ETHYL 2-BROMOACETATE Antol Ethyl bromacetate
Compound Description	Ethyl bromoacetate appears as a clear, colorless liquid. A lachrymator. Toxic by ingestion, inhalation and skin absorption; a strong irritant of the skin. Insoluble in water and soluble in alcohol, benzene, and ether. Ethyl bromoacetate is an organobromide compound. In World War I, ethyl bromoacetate was used as a lachrymatory agent and tear gas agent for chemical warfare. It was also later used as a riot control agent. Today it is mostly used in organic synthesis as an alkylating agent. Bromine is a halogen element with the symbol Br and atomic number 35. Diatomic bromine does not occur naturally, but bromine salts can be found in crustal rock.

Computed Properties

Molecular Weight:	167.00 g/mol
XLogP3:	1.3
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	3
Exact Mass:	165.96294 g/mol
Monoisotopic Mass:	165.96294 g/mol
Topological Polar Surface Area:	26.3 Å²
Heavy Atom Count:	7
Formal Charge:	0
Complexity:	62.7
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. 3 (93.1%) Acute Tox. 2 (100%) Acute Tox. 1 (100%) Acute toxicity (inhalation) - category 2 Acute toxicity (dermal) - category 1 Acute toxicity (ingestion) - category 2 Flammable liquids - Category 3 Serious eye damage/eye irritation - Category 1 Flammable - 2nd degree, Reactive - 1st degree Acute Tox. 1 Acute Tox. 2 *
precautionary statement codes	P210, P233, P240, P241, P242, P243, P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P320, P321, P330, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501
hazard statements	H226 (93.1%): Flammable liquid and vapor [Warning Flammable liquids] H300+H310+H330 (86.21%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral] H310 (100%): Fatal in contact with skin [Danger Acute toxicity, dermal] H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]
hazards summary	A skin, eye, and mucous membrane irritant. Contact with liquid can cause corneal burns. A lachrymator and a strong skin irritant. Highly toxic. A lachrymator--exposure to 8 ppm for more than 1 minute is unbearable. Inhalation of high concentrations may produce acute pneumonitis and pulmonary edema. See Ethyl chloroacetate.

Product No: AB1660

Ethyl bromoacetate, 96%

Product No: AB1660

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: AB1660

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?