Ethyl bromofluoroacetate
Properties
- Molecular formula
- C4H6BrFO2
- Molar mass
- 184.99 g/mol
- Exact mass
- 183.9535 Da
- Density
- 1.57 g/mL
- Boiling point
- 68 °C (at 34 Torr)
- logP
- 1.24Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed14.3% of notifiers
- H302 Harmful if swallowed85.7% of notifiers
- H311 Toxic in contact with skin12.2% of notifiers
- H312 Harmful in contact with skin85.7% of notifiers
- H315 Causes skin irritation95.9% of notifiers
- H319 Causes serious eye irritation87.8% of notifiers
- H332 Harmful if inhaled85.7% of notifiers
- H335 May cause respiratory irritation93.9% of notifiers
Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
401-55-8SMILES
CCOC(=O)C(F)BrInChIKey
ULNDTPIRBQGESN-UHFFFAOYSA-NInChI
InChI=1S/C4H6BrFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Acetic acid, 2-bromo-2-fluoro-, ethyl ester
- Acetic acid, bromofluoro-, ethyl ester
- Bromofluoroacetic acid ethyl ester
- Ethyl 2-bromo-2-fluoroacetate
- 2-Bromo-2-fluoroacetic acid ethyl ester
Work with Ethyl bromofluoroacetate
Similar compounds
Ethyl difluoroacetate454-31-961 % similar
Diethyl bromomalonate685-87-061 % similar
Diethyl fluoromalonate685-88-161 % similar
Ethyl 2-fluoropropionate127306-59-657 % similar
Ethyl 2-fluoropropionate349-43-957 % similar
Ethyl chlorofluoroacetate401-56-957 % similar
Ethyl 2-bromopropionate535-11-557 % similar
1,6-Diethyl 2,5-dibromohexanedioate869-10-357 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.