Ethyl bromoacetate

Ethyl bromoacetate is the chemical compound with the formula BrCH2CO2CH2CH3. It is the ethyl ester of bromoacetic acid and is prepared in two steps from acetic acid. It is a lachrymator and has a fruity, pungent odor. It is also a highly toxic alkylating agent and may be fatal if inhaled.

Ethyl bromoacetate
Names
Preferred IUPAC name
Ethyl bromoacetate
Other names
  • Antol
  • Bromoacetic acid, ethyl ester
  • Ethoxycarbonylmethyl bromide
  • Ethyl 2-bromoacetate
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
ECHA InfoCard 100.002.992
EC Number
  • 203-290-9
PubChem CID
RTECS number
  • AF6000000
UNII
UN number 1603
  • InChI=1S/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3 Y
    Key: PQJJJMRNHATNKG-UHFFFAOYSA-N Y
  • InChI=1/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3
    Key: PQJJJMRNHATNKG-UHFFFAOYAE
SMILES
  • BrCC(=O)OCC
Properties
BrCH2CO2CH2CH3
Molar mass 167.002 g·mol−1
Appearance Colorless to yellow liquid
Odor Fruity, pungent
Density 1.51 g/cm3
Melting point −38 °C (−36 °F; 235 K)
Boiling point 158 °C (316 °F; 431 K)
Insoluble
Magnetic susceptibility (χ)
−82.8·10−6 cm3/mol
Hazards
GHS labelling:
Danger
H300, H310, H330
P260, P262, P264, P270, P271, P280, P284, P301+P310, P302+P350, P304+P340, P310, P320, P321, P322, P330, P361, P363, P403+P233, P405, P501
NFPA 704 (fire diamond)
4
0
3
Flash point 47 °C (117 °F; 320 K)
Related compounds
Related esters
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is YN ?)
Infobox references
This article is issued from Wikipedia. The text is licensed under Creative Commons - Attribution - Sharealike. Additional terms may apply for the media files.