Methyl 2-bromohexanoate
Properties
- Molecular formula
- C7H13BrO2
- Molar mass
- 209.08 g/mol
- Exact mass
- 208.0099 Da
- Density
- 1.2734 g/mL (at 25 °C)
- Boiling point
- 86 °C (at 12 Torr)
- logP
- 2.11Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 4
Hazards
Danger
- H314 Causes severe skin burns and eye damage86.9% of notifiers
- H315 Causes skin irritation13.1% of notifiers
Aggregated from 61 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P332+P317, P362+P364, P363, P405, P501
Identifiers
CAS number
5445-19-2SMILES
CCCCC(Br)C(=O)OCInChIKey
YGLPDRIMFIXNBI-UHFFFAOYSA-NInChI
InChI=1S/C7H13BrO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Hexanoic acid, 2-bromo-, methyl ester
- Methyl 2-bromocaproate
- Methyl (±)-2-bromocaproate
- (±)-Methyl 2-bromohexanoate
- Methyl α-bromocaproate
- NSC 21976
- 2-Bromohexanoic acid methyl ester
Work with Methyl 2-bromohexanoate
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Methyl 2-bromotetradecanoate16631-25-787 % similar
Methyl 2-bromooctanoate5445-22-787 % similar
Dimethyl2,2'-dibromoadipate868-72-471 % similar
Ethyl 2-bromohexanoate615-96-367 % similar
Methyl 2,4-dibromobutyrate70288-65-263 % similar
Methyl 2-bromobutanoate3196-15-461 % similar
Methyl 2-bromobutanoate69043-96-561 % similar
Ethyl 2-bromotetradecanoate14980-92-858 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.