1,3-Dichloro-2-butene
Properties
- Molecular formula
- C4H6Cl2
- Molar mass
- 124.99 g/mol
- Exact mass
- 123.9847 Da
- Density
- 1.16 g/mL
- Melting point
- −75 °C
- Boiling point
- 131 °C
- Flash point
- 26.7 °C (closed cup)
- logP
- 2.37Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H301 Toxic if swallowed13.3% of notifiers
- H302 Harmful if swallowed86.7% of notifiers
- H312 Harmful in contact with skin86.7% of notifiers
- H315 Causes skin irritation11.1% of notifiers
- H319 Causes serious eye irritation97.8% of notifiers
- H331 Toxic if inhaled88.9% of notifiers
- H335 May cause respiratory irritation95.6% of notifiers
Aggregated from 45 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+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
926-57-8SMILES
CC(Cl)=CCClInChIKey
WLIADPFXSACYLS-UHFFFAOYSA-NInChI
InChI=1S/C4H6Cl2/c1-4(6)2-3-5/h2H,3H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- 2-Butene, 1,3-dichloro-
- NSC 8749
Work with 1,3-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
Similar compounds
1-Chloro-3-methyl-2-butene503-60-652 % similar
1,2-Dichloropropylene563-54-241 % similar
Geranyl chloride5389-87-738 % similar
cis-1,3-Dichloropropene10061-01-530 % similar
trans-1,3-Dichloropropene10061-02-630 % similar
(2E)-1-Chloro-2-butene4894-61-530 % similar
1,3-Dichloropropene542-75-630 % similar
Crotyl chloride591-97-930 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.