1-Bromo-5-methylhexane

C₇H₁₅BrCAS 35354-37-1179.10 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₇H₁₅Br
Molar mass: 179.10 g/mol
Exact mass: 178.0357 Da
logP: 3.21Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

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 irritation87.5% of notifiers

Aggregated from 8 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

35354-37-1

SMILES

CC(C)CCCCBr

InChIKey

XAOFMTDKQYEOES-UHFFFAOYSA-N

InChI

InChI=1S/C7H15Br/c1-7(2)5-3-4-6-8/h7H,3-6H2,1-2H3

Weigh it out

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

Work with 1-Bromo-5-methylhexane

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

1-Bromo-4-methylpentane626-88-083 % similar 2,7-Dimethyloctane1072-16-865 % similar 1-Bromo-3-methylbutane107-82-463 % similar Squalane111-01-350 % similar 2-Methylheptane592-27-850 % similar Isododecane31807-55-348 % similar 2-Methyloctane3221-61-248 % similar 2-Methyldecane6975-98-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromoheptane1974-04-5 3-Bromoheptane1974-05-6 1-Bromoheptane629-04-9

Elsewhere

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