Methallyl bromide

C₄H₇BrCAS 1458-98-6135.00 g/mol

Open in Covalent MOL file

Alkene Alkyl 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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H302+H332 Harmful if swallowed or if inhaled76.5% of notifiers
H302 Harmful if swallowed88.2% of notifiers
H314 Causes severe skin burns and eye damage88.2% of notifiers
H332 Harmful if inhaled100% of notifiers
H411 Toxic to aquatic life with long lasting effects78.4% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P391, P403+P235, P405, P501

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 1-Bromo-2-methyl-1-propene3017-69-4 2-Bromo-2-butene3017-71-8 Bromocyclobutane4399-47-7 1-Bromo-2-butene4784-77-4 4-Bromo-1-butene5162-44-7 (Bromomethyl)cyclopropane7051-34-5

Elsewhere

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