1-Bromooctadecane

C18H37BrCAS 112-89-0333.40 g/mol

Open in Covalent MOL file
Br
Alkyl halide

Properties

Molecular formula
C18H37Br
Molar mass
333.40 g/mol
Exact mass
332.2079 Da
Melting point
28.2 °C
Boiling point
210 °C
logP
7.64Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
16

Hazards

Warning
Irritant (GHS07)

Aggregated from 127 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
112-89-0
SMILES
CCCCCCCCCCCCCCCCCCBr
InChIKey
WSULSMOGMLRGKU-UHFFFAOYSA-N
InChI
InChI=1S/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3

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Names and synonyms

5 names
  • Octadecane, 1-bromo-
  • Octadecyl bromide
  • n-Octadecyl bromide
  • Stearyl bromide
  • NSC 5542

Work with 1-Bromooctadecane

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-Bromohexadecane112-82-3100 % 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook