1-Bromo-3-methylbutane

C₅H₁₁BrCAS 107-82-4151.05 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₅H₁₁Br
Molar mass: 151.05 g/mol
Exact mass: 150.0044 Da
Density: 1.1365 g/mL (at 0 °C)
Melting point: −112 °C
Boiling point: 120.4 °C
Flash point: -6 °C
Water solubility: 196 mg/L (16.5 °C)
logP: 2.43Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H225 Highly Flammable liquid and vapor84.6% of notifiers
H226 Flammable liquid and vapor17.3% of notifiers
H302 Harmful if swallowed78.8% of notifiers
H315 Causes skin irritation94.2% of notifiers
H319 Causes serious eye irritation17.3% of notifiers
H335 May cause respiratory irritation90.4% of notifiers
H411 Toxic to aquatic life with long lasting effects19.2% of notifiers

Aggregated from 52 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, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

107-82-4

SMILES

CC(C)CCBr

InChIKey

YXZFFTJAHVMMLF-UHFFFAOYSA-N

InChI

InChI=1S/C5H11Br/c1-5(2)3-4-6/h5H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

8 names

Butane, 1-bromo-3-methyl-
4-Bromo-2-methylbutane
Isopentyl bromide
Isoamyl bromide
3-Methylbutyl bromide
3-Methyl-1-bromobutane
Isobutylmethyl bromide
NSC 9240

Work with 1-Bromo-3-methylbutane

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

1-Bromo-4-methylpentane626-88-067 % similar 1-Bromo-5-methylhexane35354-37-163 % similar 1,5-Dibromo-3-methylpentane4457-72-156 % similar 2,5-Dimethylhexane592-13-253 % similar 1,3-Dibromobutane107-80-250 % similar 2,7-Dimethyloctane1072-16-847 % similar 1-Bromo-2-methylpropane78-77-344 % similar 2-Methylpentane107-83-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Bromo-2-methylbutane10422-35-2 2-Bromopentane107-81-3 1-Bromopentane110-53-2 3-Bromopentane1809-10-5 2-Bromo-2-methylbutane507-36-8 (2S)-1-Bromo-2-methylbutane534-00-9 1-Bromo-2,2-dimethylpropane630-17-1

Elsewhere

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