chempirical

Methallyl bromide

C4H7BrCAS 1458-98-6135.00 g/mol

Open in Covalent MOL file
Br
AlkeneAlkyl halide

Properties

Molecular formula
C4H7Br
Molar mass
135.00 g/mol
Exact mass
133.9731 Da
Density
1.3134 g/mL (at 20 °C)
Boiling point
94.2–95.2 °C (at 774 Torr)
logP
1.96Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
1458-98-6
SMILES
C=C(C)CBr
InChIKey
USEGQJLHQSTGHW-UHFFFAOYSA-N
InChI
InChI=1S/C4H7Br/c1-4(2)3-5/h1,3H2,2H3

Weigh it out

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

Names and synonyms

16 names · show all
  • 1-Propene, 3-bromo-2-methyl-
  • Propene, 3-bromo-2-methyl-
  • 2-Methylallyl bromide
  • β-Methylallyl bromide
  • Methylallyl bromide
  • 3-Bromo-2-methylpropene
  • 2-(Bromomethyl)propene
  • 3-Bromo-2-methyl-1-propene
  • 2-Methyl-2-propenyl bromide
  • 1-Bromo-2-methyl-2-propene
  • 2-Methyl-3-bromo-1-propene
  • β-Methallyl bromide
  • 3-Bromo-2-methyl-1-propylene
  • NSC 617310
  • 2-Methyl-3-bromopropene
  • 3-Bromoisobutylene

Work with Methallyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Dimethyl-1,5-hexadiene627-58-750 % similar 2-Methyl-1-butene563-46-245 % similar Methallyl alcohol513-42-843 % similar Methallyl chloride563-47-343 % similar 1,4-Dibromo-2,3-bis(bromomethyl)-2-butene30432-16-741 % similar 2-Methyl-1-pentene763-29-141 % similar 2,4,4-Trimethyl-1-pentene107-39-139 % similar Methallyltrimethylsilane18292-38-139 % similar

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

Same formula

2-Bromo-1-butene23074-36-4 Bromocyclobutane4399-47-7 1-Bromo-2-butene4784-77-4 4-Bromo-1-butene5162-44-7 (Bromomethyl)cyclopropane7051-34-5

Elsewhere

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