7-Bromo-1-heptene

C₇H₁₃BrCAS 4117-09-3177.08 g/mol

Open in Covalent MOL file

Alkene Alkyl halide

Properties

Molecular formula: C₇H₁₃Br
Molar mass: 177.08 g/mol
Exact mass: 176.0201 Da
logP: 3.13Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% 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

4117-09-3

SMILES

C=CCCCCCBr

InChIKey

GNYDYUQVALBGGZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H13Br/c1-2-3-4-5-6-7-8/h2H,1,3-7H2

Weigh it out

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

Work with 7-Bromo-1-heptene

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

8-Bromooct-1-ene2695-48-9100 % similar 10-Bromo-1-decene62871-09-4100 % similar 11-Bromo-1-undecene7766-50-9100 % similar 9-Bromo-1-nonene89359-54-6100 % similar 6-Bromo-1-hexene2695-47-894 % similar 5-Bromo-1-pentene1119-51-379 % similar 1,9-Decadiene1647-16-167 % similar 1,13-Tetradecadiene21964-49-867 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Bromocycloheptane2404-35-5 Cyclohexylmethyl bromide2550-36-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook