chempirical

(2S)-1-Bromo-2-methylbutane

C5H11BrCAS 534-00-9151.05 g/mol

Open in Covalent MOL file
Br
Alkyl halide

Properties

Molecular formula
C5H11Br
Molar mass
151.05 g/mol
Exact mass
150.0044 Da
Density
1.217 g/mL (at 32 °C)
Boiling point
121.6 °C
logP
2.43Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 45 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
534-00-9
SMILES
CC[C@H](C)CBr
InChIKey
XKVLZBNEPALHIO-YFKPBYRVSA-N
InChI
InChI=1S/C5H11Br/c1-3-5(2)4-6/h5H,3-4H2,1-2H3/t5-/m0/s1

Weigh it out

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

Names and synonyms

16 names · show all
  • 1-Bromo-2-methylbutane, (+)-
  • Butane, 1-bromo-2-methyl-, (2S)-
  • Butane, 1-bromo-2-methyl-, (S)-(+)-
  • Butane, 1-bromo-2-methyl-, (S)-
  • (+)-1-Bromo-2-methylbutane
  • d-Amyl bromide
  • (+)-(S)-1-Bromo-2-methylbutane
  • (S)-(+)-1-Bromo-2-methylbutane
  • (+)-2-Methylbutyl bromide
  • (+)-2-Methyl-1-bromobutane
  • (S)-2-Methyl-1-bromobutane
  • (S)-1-Bromo-2-methylbutane
  • (S)-(+)-2-Methyl-1-bromobutane
  • (S)-2-Methylbutyl bromide
  • S(+)-1-Bromo-2-methylbutane
  • 1-Bromo-2-(S)-methylbutane

Work with (2S)-1-Bromo-2-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Bromo-2-methylbutane10422-35-2Stereo not defined

Similar compounds

3-Methylpentane96-14-059 % similar 3,5-Dimethylheptane926-82-953 % similar 1-Bromo-2-ethylbutane3814-34-450 % similar 3-Bromo-2-methylpropan-1-ol40145-08-250 % similar 1-Bromo-3-chloro-2-methylpropane6974-77-250 % similar 2-Methyl-1-butanol137-32-645 % similar (S)-2-Methyl-1-butanol1565-80-645 % similar 2-Methyl-1-butanethiol1878-18-845 % similar

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

Same formula

2-Bromopentane107-81-3 1-Bromo-3-methylbutane107-82-4 1-Bromopentane110-53-2 3-Bromopentane1809-10-5 2-Bromo-2-methylbutane507-36-8 1-Bromo-2,2-dimethylpropane630-17-1

Elsewhere

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