3-Chloro-1-butene

C₄H₇ClCAS 563-52-090.55 g/mol

Open in Covalent MOL file

Alkene Alkyl halide

Properties

Molecular formula: C₄H₇Cl
Molar mass: 90.55 g/mol
Exact mass: 90.0236 Da
Density: 0.8978 g/mL (at 20 °C)
Boiling point: 64.5 °C
logP: 1.80Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vapor54.9% of notifiers
H302 Harmful if swallowed46.3% of notifiers
H314 Causes severe skin burns and eye damage45.1% of notifiers
H317 May cause an allergic skin reaction97.6% of notifiers
H332 Harmful if inhaled45.1% of notifiers
H412 Harmful to aquatic life with long lasting effects45.1% of notifiers

Aggregated from 82 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, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

563-52-0

SMILES

C=CC(C)Cl

InChIKey

VZGLVCFVUREVDP-UHFFFAOYSA-N

InChI

InChI=1S/C4H7Cl/c1-3-4(2)5/h3-4H,1H2,2H3

Weigh it out

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

Names and synonyms

10 names

1-Butene, 3-chloro-
γ-Chloro-α-butylene
α-Methallyl chloride
α-Methylallyl chloride
1-Methylallyl chloride
2-Chloro-3-butene
Dl-α-Methallyl chloride
(±)-3-Chloro-1-butene
1-Methyl-1-chloro-2-propene
NSC 60192

Work with 3-Chloro-1-butene

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

3-Methyl-1,4-pentadiene1115-08-842 % similar 3-Methyl-1-butene563-45-142 % similar 3-Buten-2-ol598-32-336 % similar 3-Methyl-1-pentene760-20-333 % similar Acrolein dimethyl acetal6044-68-430 % similar

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

Same formula

Chlorocyclobutane1120-57-6 (2E)-1-Chloro-2-butene4894-61-5 Methallyl chloride563-47-3 (Chloromethyl)cyclopropane5911-08-0 Crotyl chloride591-97-9 4-Chloro-1-butene927-73-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook