1-Bromo-2-methylpropane

C4H9BrCAS 78-77-3137.02 g/mol

Open in Covalent MOL file
Br
Alkyl halide

Properties

Molecular formula
C4H9Br
Molar mass
137.02 g/mol
Exact mass
135.9888 Da
Density
1.2616 g/mL (at 25 °C)
Melting point
−119 °C
Boiling point
91.1 °C
logP
2.04Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 99 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
78-77-3
SMILES
CC(C)CBr
InChIKey
HLVFKOKELQSXIQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Propane, 1-bromo-2-methyl-
  • Isobutyl bromide
  • iso-Butyl bromide
  • Bromoisobutane
  • 2-Methylpropyl bromide
  • NSC 8416
  • 1-Methyl-2-propyl bromide
  • 3-Bromo-2-methylpropane
  • 2-Methyl-1-bromopropane

Reactions

Work with 1-Bromo-2-methylpropane

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-3-methylbutane107-82-444 % similar 1,2-Dibromopropane78-75-144 % similar 1-Bromo-2-propanol19686-73-842 % similar 1-Bromo-2-methylbutane10422-35-240 % similar 2,4-Dimethylpentane108-08-740 % similar (2S)-1-Bromo-2-methylbutane534-00-940 % similar 2,5-Dimethylhexane592-13-240 % similar 1-Bromo-4-methylpentane626-88-040 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromobutane109-65-9 t-Butyl bromide507-19-7 2-Bromobutane78-76-2

Elsewhere

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