Ethyl 6-bromohexanoate
Properties
- Molecular formula
- C8H15BrO2
- Molar mass
- 223.11 g/mol
- Exact mass
- 222.0255 Da
- Density
- 1.241 g/mL (at 23 °C)
- Melting point
- 33 °C
- Boiling point
- 128–130 °C (at 16 Torr)
- logP
- 2.50Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 6
Hazards
Warning
- H226 Flammable liquid and vapor89.8% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% 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
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
25542-62-5SMILES
CCOC(=O)CCCCCBrInChIKey
DXBULVYHTICWKT-UHFFFAOYSA-NInChI
InChI=1S/C8H15BrO2/c1-2-11-8(10)6-4-3-5-7-9/h2-7H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Hexanoic acid, 6-bromo-, ethyl ester
- Ethyl 6-bromocaproate
- 6-Bromohexanoic acid ethyl ester
- 5-Carbethoxypentyl bromide
Work with Ethyl 6-bromohexanoate
Similar compounds
Ethyl 9-bromononanoate28598-81-4100 % similar
Ethyl 7-bromoheptanoate29823-18-5100 % similar
Ethyl 8-bromooctanoate29823-21-0100 % similar
Ethyl 5-bromovalerate14660-52-796 % similar
Ethyl 4-bromobutyrate2969-81-585 % similar
Diethyl sebacate110-40-777 % similar
Diethyl pimelate2050-20-677 % similar
Diethyl suberate2050-23-977 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.