Cyclohexylmethyl bromide

C₇H₁₃BrCAS 2550-36-9177.09 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₇H₁₃Br
Molar mass: 177.09 g/mol
Exact mass: 176.0201 Da
logP: 2.96Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor89.4% of notifiers
H315 Causes skin irritation17% of notifiers
H319 Causes serious eye irritation17% of notifiers
H335 May cause respiratory irritation14.9% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

2550-36-9

SMILES

C1CCC(CC1)CBr

InChIKey

UUWSLBWDFJMSFP-UHFFFAOYSA-N

InChI

InChI=1S/C7H13Br/c8-6-7-4-2-1-3-5-7/h7H,1-6H2

Weigh it out

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

Names and synonyms

1 names

Cyclohexane, (bromomethyl)-

Work with Cyclohexylmethyl bromide

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

(Bromomethyl)cyclopentane3814-30-093 % similar (Bromomethyl)cyclobutane17247-58-480 % similar 7-(Bromomethyl)pentadecane52997-43-070 % similar 9-(Bromomethyl)nonadecane69620-20-870 % similar 11-(Bromomethyl)tricosane732276-63-070 % similar (Bromomethyl)cyclopropane7051-34-567 % similar 2-Cyclohexylethyl bromide1647-26-353 % similar 4-Bromomethyltetrahydropyran125552-89-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Bromocycloheptane2404-35-5 7-Bromo-1-heptene4117-09-3

Elsewhere

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