1,4-Dichloro-2-butene
Properties
- Molecular formula
- C4H6Cl2
- Molar mass
- 124.99 g/mol
- Exact mass
- 123.9847 Da
- Density
- 1.19 g/mL
- Melting point
- 3.5 °C
- Boiling point
- 158 °C
- logP
- 2.02Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowedAcute toxicity, oral
- H311 Toxic in contact with skinAcute toxicity, dermal
- H314 Causes severe skin burns and eye damageSkin corrosion/irritation
- H330 Fatal if inhaledAcute toxicity, inhalation
- H350 May cause cancerCarcinogenicity
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 602-073-00-X), via PubChem.
Precautionary statements
P203, P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P320, P321, P330, P361+P364, P363, P391, P403+P233, P405, P501
Identifiers
CAS number
764-41-0SMILES
ClCC=CCClInChIKey
FQDIANVAWVHZIR-UHFFFAOYSA-NInChI
InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- 2-Butene, 1,4-dichloro-
- NSC 9452
Work with 1,4-Dichloro-2-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
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.
Similar compounds
cis-1,3-Dichloropropene10061-01-557 % similar
trans-1,3-Dichloropropene10061-02-657 % similar
(2E)-1-Chloro-2-butene4894-61-557 % similar
1,3-Dichloropropene542-75-657 % similar
Crotyl chloride591-97-957 % similar
Allyl chloride107-05-140 % similar
Chloroacetaldehyde107-20-040 % similar
Cinnamyl chloride21087-29-638 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.