1-Chloro-1-propene

C₃H₅ClCAS 590-21-676.52 g/mol

Open in Covalent MOL file

Alkene Vinyl halide

Properties

Molecular formula: C₃H₅Cl
Molar mass: 76.52 g/mol
Exact mass: 76.0080 Da
Boiling point: 35–36 °C
Flash point: -6.1 °C (closed cup)
logP: 1.76Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H224 Extremely flammable liquid and vapor17.6% of notifiers
H225 Highly Flammable liquid and vapor82.4% of notifiers
H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation82.4% of notifiers
H319 Causes serious eye irritation82.4% of notifiers
H336 May cause drowsiness or dizziness76.5% of notifiers

Aggregated from 17 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, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

590-21-6

SMILES

CC=CCl

InChIKey

OWXJKYNZGFSVRC-UHFFFAOYSA-N

InChI

InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3

Weigh it out

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

Names and synonyms

6 names

1-Propene, 1-chloro-
Propene, 1-chloro-
1-Chloropropene
Propenyl chloride
1-Chloropropylene
NSC 6155

Work with 1-Chloro-1-propene

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

trans-1-Chloropropene16136-85-9Defined stereoisomer

Similar compounds

1,2-Dichloroethene156-59-245 % similar trans-1,2-Dichloroethylene156-60-545 % similar 1,2-Dichloroethylene540-59-045 % similar But-2-ene107-01-736 % similar cis-2-Butene590-18-136 % similar trans-2-Butene624-64-636 % similar 1-Chloro-2-fluoroethylene460-16-231 % similar Trans,trans-2,4-Hexadiene5194-51-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Allyl chloride107-05-1 2-Chloropropylene557-98-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook