1,1-Dichloropropene

C₃H₄Cl₂CAS 563-58-6110.97 g/mol

Open in Covalent MOL file

Alkene Vinyl halide

Properties

Molecular formula: C₃H₄Cl₂
Molar mass: 110.97 g/mol
Exact mass: 109.9690 Da
Density: 1.1675 g/mL (at 25 °C)
Boiling point: 76.5 °C
logP: 2.33Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vaporFlammable liquids
H301 Toxic if swallowedAcute toxicity, oral
H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 602-031-00-0), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P270, P273, P280, P301+P316, P303+P361+P353, P321, P330, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

563-58-6

SMILES

CC=C(Cl)Cl

InChIKey

ZAIDIVBQUMFXEC-UHFFFAOYSA-N

InChI

InChI=1S/C3H4Cl2/c1-2-3(4)5/h2H,1H3

Weigh it out

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

Names and synonyms

6 names

1-Propene, 1,1-dichloro-
Propene, 1,1-dichloro-
1,1-Dichloropropylene
1,1-Dichloro-1-propene
NSC 6201
1, 1-Dichloro-1-propylene

Work with 1,1-Dichloropropene

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-Methyl-2-butene513-35-935 % similar Trichloroethylene79-01-635 % similar 2-Bromo-2-butene3017-71-830 % similar

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

Same formula

cis-1,3-Dichloropropene10061-01-5 trans-1,3-Dichloropropene10061-02-6 1,3-Dichloropropene542-75-6 1,2-Dichloropropylene563-54-2 2,3-Dichloropropene78-88-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook