4-Bromo-2-methylbut-1-ene

HCID 549585

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Basic information

CAS: 20038-12-4
Standard SMILES: C=C(C)CCBr
InChIKey: IZMWJUPSQXIVDN-UHFFFAOYSA-N
Molecular formula: C5H9Br
Average molar mass: 149.03 g/mol
Monoisotopic mass: 147.98876239

Names & identifiers

Preferred name: 4-Bromo-2-methylbut-1-ene
IUPAC: 4-bromo-2-methylbut-1-ene
English name: 3-Methyl-3-butenyl bromide
Molecular formula: C5H9Br
Molecular weight: 149.03

Names & synonyms

4-bromo-2-methylbut-1-ene20038-12-4DTXSID00338517RefChem:1070393DTXCID102896021-Butene, 4-bromo-2-methyl-4-Bromo-2-methyl-1-butene4-BROMO-2-METHYL-BUT-1-ENE3-methyl-3-butenyl bromideIsopentenyl bromideMFCD118485101-bromo-3-methyl-3-butene

Show more names

20038-12-4 3-Methyl-3-butenyl bromide

2-Methyl-4-bromo-1-butene1-Bromo-3-methyl-3-butene; 2-Methyl-4-bromo-1-butene; 3-Methyl-3-butenyl Bromide;4-bromo2-methyl butene4-bromo-2-methyl buteneSCHEMBL6701174-Bromo-2-methyl-1-butene #AKOS016002841SB35154

Database identifiers

CAS: 20038-12-4
PubChem CID: 549585
DTXSID: DTXSID00338517
Nikkaji: J504.779J

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 47.9

Physicochemical properties

Melting point: -106.7 °C · -106.7°C (estimate)
Boiling point: 125 ℃ · 125℃
Density: 1.25 · 1.250
refractive index: 1.46 · 1.4600
Flash point: 26 ℃ · 26℃
storage temp.: 2 · 2-8°C
solubility: Acetone (Slightly), Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)
form: Oil
color: Colourless to Light Yellow
InChI: InChI=1S/C5H9Br/c1-5(2)3-4-6/h1,3-4H2,2H3
InChIKey: IZMWJUPSQXIVDN-UHFFFAOYSA-N
SMILES: C=C(C)CCBr
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 302 · H302-H310-H314-H317
Precautionary statements: 280 · P280-P302+P350-P305+P351+P338-P310