1,1-Bis(chloromethyl)ethylene

C₄H₆Cl₂CAS 1871-57-4124.99 g/mol

Open in Covalent MOL file

Alkene Alkyl halide

Properties

Molecular formula: C₄H₆Cl₂
Molar mass: 124.99 g/mol
Exact mass: 123.9847 Da
Density: 1.1782 g/mL (at 20 °C)
Melting point: −14 °C
Boiling point: 138 °C
logP: 2.02Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H301 Toxic if swallowed100% of notifiers
H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation95.5% of notifiers
H400 Very toxic to aquatic life97.7% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

1871-57-4

SMILES

C=C(CCl)CCl

InChIKey

XJFZOSUFGSANIF-UHFFFAOYSA-N

InChI

InChI=1S/C4H6Cl2/c1-4(2-5)3-6/h1-3H2

Weigh it out

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

Names and synonyms

13 names · show all

1-Propene, 3-chloro-2-(chloromethyl)-
Propene, 3-chloro-2-(chloromethyl)-
3-Chloro-2-(chloromethyl)-1-propene
2-Chloromethyl-3-chloropropene
3-Chloro-2-(chloromethyl)propene
2-Methylene-1,3-dichloropropane
1,3-Dichloro-2-methylenepropane
2-Methylenepropane-1,3-dichloride
1,1-Bis(chloromethyl)ethene
2-Chloromethyl-3-chloro-1-propene
2-(Chloromethyl)allyl chloride
2-Chloromethyl-2-propenyl chloride
NSC 88138

Reactions

3-CHLORO-2-(CHLOROMETHYL)-1-PROPENE (1-Propene, 3-chloro-2-(chloromethyl)-)product

Work with 1,1-Bis(chloromethyl)ethylene

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

2,3-Dichloropropene78-88-644 % similar Methallyl chloride563-47-342 % similar 2-Methylene-1,3-propanediol3513-81-333 % similar 3-Methylenepentane760-21-433 % similar 1,1,2,3-Tetrachloro-1-propene10436-39-230 % similar Tetrahydro-4-methylene-2H-pyran36838-71-830 % similar Chloroacetyl chloride79-04-930 % similar

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

Same formula

1,4-Dichlorobut-2-ene110-57-6 cis-1,4-Dichloro-2-butene1476-11-5 1,4-Dichloro-2-butene764-41-0 1,3-Dichloro-2-butene926-57-8

Elsewhere

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