chempirical

6-Bromohexanenitrile

C6H10BrNCAS 6621-59-6176.06 g/mol

Open in Covalent MOL file
NBr
Alkyl halideNitrile

Properties

Molecular formula
C6H10BrN
Molar mass
176.06 g/mol
Exact mass
174.9997 Da
Density
1.328 g/mL (at 24 °C)
Boiling point
134.4 °C (at 15 Torr)
logP
2.47Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
6621-59-6
SMILES
N#CCCCCCBr
InChIKey
PHOSWLARCIBBJZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H10BrN/c7-5-3-1-2-4-6-8/h1-5H2

Weigh it out

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

Names and synonyms

5 names
  • Hexanenitrile, 6-bromo-
  • 5-Bromopentyl cyanide
  • 6-Bromohexanonitrile
  • 6-Bromocapronitrile
  • NSC 59712

Work with 6-Bromohexanenitrile

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

7-Bromoheptanenitrile20965-27-9100 % similar 5-Bromovaleronitrile5414-21-194 % similar 4-Bromobutyronitrile5332-06-979 % similar Dodecanedinitrile4543-66-267 % similar Octanedinitrile629-40-367 % similar Pimelonitrile646-20-867 % similar Adiponitrile111-69-361 % similar 3-Bromopropionitrile2417-90-560 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook