1-Bromo-2,2-dimethylpropane

C5H11BrCAS 630-17-1151.05 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
1.2 g/mL (at 20 °C)
Boiling point
106 °C
logP
2.43Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

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
630-17-1
SMILES
CC(C)(C)CBr
InChIKey
CQWYAXCOVZKLHY-UHFFFAOYSA-N
InChI
InChI=1S/C5H11Br/c1-5(2,3)4-6/h4H2,1-3H3

Weigh it out

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

Names and synonyms

4 names
  • Propane, 1-bromo-2,2-dimethyl-
  • Neopentyl bromide
  • 2,2-Dimethylpropyl bromide
  • 2,2-Dimethyl-1-bromopropane

Work with 1-Bromo-2,2-dimethylpropane

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

2-Bromoisobutyl bromide594-34-347 % similar 1-Bromo-3,3-dimethylbutane1647-23-044 % similar 1,1-Bis(bromomethyl)cyclopropane29086-41-744 % similar 2,2,4,4-Tetramethylpentane1070-87-740 % similar 1,3-Dibromo-2,2-bis(bromomethyl)propane3229-00-340 % similar 1-Bromo-2,2-dimethoxypropane126-38-538 % similar 3-Bromo-1,1,1-trifluoro-2,2-dimethylpropane1447671-73-938 % similar 3-Bromo-2,2-dimethyl-1-propanol40894-00-638 % 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-Bromo-3-methylbutane107-82-4 1-Bromopentane110-53-2 3-Bromopentane1809-10-5 2-Bromo-2-methylbutane507-36-8 (2S)-1-Bromo-2-methylbutane534-00-9

Elsewhere

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