1-Bromohexadecane

C16H33BrCAS 112-82-3305.34 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
Density
1 g/mL (at 20 °C)
Melting point
18 °C
Boiling point
336 °C
logP
6.86Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
14

Hazards

Warning
Irritant (GHS07)

Aggregated from 77 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
112-82-3
SMILES
CCCCCCCCCCCCCCCCBr
InChIKey
HNTGIJLWHDPAFN-UHFFFAOYSA-N
InChI
InChI=1S/C16H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • n-Hexadecyl bromide
  • 1-Hexadecyl bromide
  • Palmityl bromide
  • NSC 4193
  • Hexadecane, 1-bromo-
  • Hexadecyl bromide
  • Cetyl bromide

Work with 1-Bromohexadecane

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Bromohexane111-25-1100 % similar 1-Bromooctane111-83-1100 % similar 1-Bromodecane112-29-8100 % similar 1-Bromotetradecane112-71-0100 % similar 1-Bromooctadecane112-89-0100 % similar 1-Bromododecane143-15-7100 % similar 1-Bromoheptadecane3508-00-7100 % similar 1-Bromoeicosane4276-49-7100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

7-(Bromomethyl)pentadecane52997-43-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook