Bromocycloheptane

C₇H₁₃BrCAS 2404-35-5177.08 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₃Br
Molar mass: 177.08 g/mol
Exact mass: 176.0201 Da
Density: 1.2599 g/mL (at 15.7 °C)
Boiling point: 62.5 °C
logP: 3.10Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

H411 Toxic to aquatic life with long lasting effects97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

2404-35-5

SMILES

BrC1CCCCCC1

InChIKey

LOXORFRCPXUORP-UHFFFAOYSA-N

InChI

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

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Names and synonyms

3 names

Cycloheptane, bromo-
Cycloheptyl bromide
NSC 9472

Work with Bromocycloheptane

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

Bromocyclohexane108-85-0100 % similar Bromocyclooctane1556-09-8100 % similar Bromocyclopentane137-43-992 % similar Bromocyclobutane4399-47-777 % similar Bromocyclopropane4333-56-662 % similar 4-Bromotetrahydropyran25637-16-544 % similar 1,2-Dibromocyclohexane5401-62-744 % similar trans-1,2-Dibromocyclohexane7429-37-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyclohexylmethyl bromide2550-36-9 7-Bromo-1-heptene4117-09-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook