chempirical

2-Bromohexadecanoic acid

C16H31BrO2CAS 18263-25-7335.33 g/mol

Open in Covalent MOL file
BrOOH
Alkyl halideCarboxylic acid

Properties

Molecular formula
C16H31BrO2
Molar mass
335.33 g/mol
Exact mass
334.1507 Da
Melting point
53–53.5 °C
logP
5.93Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
14

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
18263-25-7
SMILES
CCCCCCCCCCCCCCC(Br)C(=O)O
InChIKey
DPRAYRYQQAXQPE-UHFFFAOYSA-N
InChI
InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)

Weigh it out

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

Names and synonyms

7 names
  • NSC 58378
  • Hexadecanoic acid, 2-bromo-
  • 2-Bromopalmitic acid
  • α-Bromopalmitic acid
  • 1-Bromopentadecanecarboxylic acid
  • 2-Bromo-n-hexadecanoic acid
  • DL-2-Bromopalmitate

Work with 2-Bromohexadecanoic 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-Bromooctadecanoic acid142-94-9100 % 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

Same formula

Ethyl 2-bromotetradecanoate14980-92-8 16-Bromohexadecanoic acid2536-35-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook