7-(Bromomethyl)pentadecane

C16H33BrCAS 52997-43-0305.34 g/mol

Open in Covalent MOL file
Br
Alkyl halide

Properties

Molecular formula
C16H33Br
Molar mass
305.34 g/mol
Exact mass
304.1766 Da
Boiling point
114–118 °C (at 0.5 Torr)
logP
6.72Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
13

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
52997-43-0
SMILES
CCCCCCCCC(CBr)CCCCCC
InChIKey
RWEKWRQKAHQYNE-UHFFFAOYSA-N
InChI
InChI=1S/C16H33Br/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16H,3-15H2,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • Pentadecane, 7-(bromomethyl)-
  • 2-Hexyldecyl bromide
  • 1-Bromo-2-hexyl-decane
  • 2-Hexyl-1-bromodecane

Work with 7-(Bromomethyl)pentadecane

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

9-(Bromomethyl)nonadecane69620-20-8100 % similar 11-(Bromomethyl)tricosane732276-63-0100 % similar Cyclohexylmethyl bromide2550-36-970 % similar Pentylcyclohexane4292-92-667 % similar Heptylcyclohexane5617-41-467 % similar (Bromomethyl)cyclopentane3814-30-065 % similar 2-Ethylhexyl bromide18908-66-264 % similar Butylcyclohexane1678-93-959 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromohexadecane112-82-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook