t-Butyl bromide

C4H9BrCAS 507-19-7137.02 g/mol

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Br
Alkyl halide

Properties

Molecular formula
C4H9Br
Molar mass
137.02 g/mol
Exact mass
135.9888 Da
Density
1.2125 g/mL (at 25 °C)
Melting point
−16.2 °C
Boiling point
73.3 °C
Water solubility
600 mg/L (25 °C)
logP
2.18Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
507-19-7
SMILES
CC(C)(C)Br
InChIKey
RKSOPLXZQNSWAS-UHFFFAOYSA-N
InChI
InChI=1S/C4H9Br/c1-4(2,3)5/h1-3H3
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 1.67 (s, 9H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 39.4, 33.2.
[M + H]+
[M + H]+ Calcd for C4H10Br 136.9960
[M + Na]+
[M + Na]+ Calcd for C4H9BrNa 158.9780
[M − H]−
[M − H]− Calcd for C4H8Br 134.9815
Elemental analysis
Anal. Calcd for C4H9Br: C, 35.06; H, 6.62.

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Names and synonyms

9 names
  • tert-Butyl bromide
  • Propane, 2-bromo-2-methyl-
  • 2-Bromo-2-methylpropane
  • 2-Bromoisobutane
  • Trimethylbromomethane
  • Bromotrimethylmethane
  • 2-Methyl-2-bromopropane
  • 1,1-Dimethylethyl bromide
  • NSC 8418

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 507-19-7. Each row opens the sheet with its composition and PDF.

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Work with t-Butyl bromide

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

Same formula

1-Bromobutane109-65-9 2-Bromobutane78-76-2 1-Bromo-2-methylpropane78-77-3

Elsewhere

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