2-Bromooctadecanoic acid

C₁₈H₃₅BrO₂CAS 142-94-9363.38 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₁₈H₃₅BrO₂
Molar mass: 363.38 g/mol
Exact mass: 362.1820 Da
Melting point: 58 °C
logP: 6.71Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 16

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

142-94-9

SMILES

CCCCCCCCCCCCCCCCC(Br)C(=O)O

InChIKey

KRBFFJIZAKABSA-UHFFFAOYSA-N

InChI

InChI=1S/C18H35BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17H,2-16H2,1H3,(H,20,21)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Octadecanoic acid, 2-bromo-
Stearic acid, α-bromo-
2-Bromostearic acid
α-Bromostearic acid
DL-α-Bromostearic acid
NSC 58376

Work with 2-Bromooctadecanoic acid

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Bromohexadecanoic acid18263-25-7100 % similar 2-Bromooctanoic acid2623-82-7100 % similar 2-Bromohexanoic acid616-05-786 % similar 2-Bromopentanoic acid584-93-072 % similar 2-Hexyldecanoic acid25354-97-665 % similar 2-Hexadecylpropanedioic acid4371-64-665 % similar 2-Hydroxyhexadecanoic acid10067-06-861 % similar 2-Bromooctanoyl bromide106265-08-161 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook