6-Bromohexanenitrile

C₆H₁₀BrNCAS 6621-59-6176.06 g/mol

Open in Covalent MOL file

Alkyl halide Nitrile

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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed11.1% of notifiers
H312 Harmful in contact with skin11.1% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled11.1% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 Nonanedinitrile1675-69-067 % similar Sebaconitrile1871-96-167 % similar Dodecanedinitrile4543-66-267 % similar Octanedinitrile629-40-367 % similar Pimelonitrile646-20-867 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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