Ethyl 2-bromopropionate
Properties
- Molecular formula
- C5H9BrO2
- Molar mass
- 181.03 g/mol
- Exact mass
- 179.9786 Da
- Density
- 1.3823 g/mL (at 25 °C)
- Melting point
- below 25 °C
- Boiling point
- 160 °C
- logP
- 1.33Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H302 Harmful if swallowed10.6% of notifiers
- H314 Causes severe skin burns and eye damage69.7% of notifiers
- H315 Causes skin irritation13.6% of notifiers
- H335 May cause respiratory irritation12.1% of notifiers
Aggregated from 66 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P330, P332+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
535-11-5SMILES
CCOC(=O)C(C)BrInChIKey
ARFLASKVLJTEJD-UHFFFAOYSA-NInChI
InChI=1S/C5H9BrO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
16 names · show all
- Propanoic acid, 2-bromo-, ethyl ester
- Propionic acid, 2-bromo-, ethyl ester
- Propionic acid, α-bromo-, ethyl ester
- Ethyl α-bromopropionate
- 2-Bromopropionic acid ethyl ester
- α-Bromopropionic acid ethyl ester
- Ethyl 2-bromopropanoate
- Ethyl α-bromopropanoate
- 2-Bromopropanoic acid ethyl ester
- (±)-2-Bromopropanoic acid ethyl ester
- Ethyl dl-α-bromopropionate
- Ethyl (±)-2-bromopropionate
- Ethyl DL-2-bromopropionate
- (±)-2-Bromopropionic acid ethyl ester
- (±)-Ethyl α-bromopropionate
- NSC 6753
Work with Ethyl 2-bromopropionate
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Diethyl bromomalonate685-87-063 % similar
Ethyl 2-bromo-3-methylbutanoate609-12-160 % similar
Diethyl methylmalonate609-08-559 % similar
Ethyl isobutyrate97-62-159 % similar
1,6-Diethyl 2,5-dibromohexanedioate869-10-359 % similar
Ethyl 2,3-dibromobutanoate609-11-058 % similar
1,1,1-Triethyl methanetricarboxylate6279-86-358 % similar
Ethyl bromofluoroacetate401-55-857 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
Methyl (R)-(+)-3-bromo-2-methylpropionate110556-33-7
2-(2-Bromoethyl)-1,3-dioxolane18742-02-4
5-Bromopentanoic acid2067-33-6
[3-(Bromomethyl)oxetan-3-yl]methanol22633-44-9
Methyl 2-bromo-2-methylpropanoate23426-63-3
(2S)-2-Bromo-3-methylbutanoic acid26782-75-2
Isopropyl bromoacetate29921-57-1
Methyl 2-bromobutanoate3196-15-4