1,2-Dichlorobutane
Properties
- Molecular formula
- C4H8Cl2
- Molar mass
- 127.01 g/mol
- Exact mass
- 126.0003 Da
- Density
- 1.1116 g/mL (at 25 °C)
- Boiling point
- 124.1 °C
- Water solubility
- insoluble
- logP
- 2.24Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 2
Hazards
Warning
- H226 Flammable liquid and vapor98% of notifiers
- H302 Harmful if swallowed68.9% of notifiers
- H315 Causes skin irritation94.7% of notifiers
- H319 Causes serious eye irritation94.7% of notifiers
- H335 May cause respiratory irritation94.7% of notifiers
- H412 Harmful to aquatic life with long lasting effects68.9% of notifiers
Aggregated from 151 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+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
616-21-7SMILES
CCC(Cl)CClInChIKey
PQBOTZNYFQWRHU-UHFFFAOYSA-NInChI
InChI=1S/C4H8Cl2/c1-2-4(6)3-5/h4H,2-3H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Butane, 1,2-dichloro-
- Dl-1,2-Dichlorobutane
- (±)-1,2-Dichlorobutane
- NSC 93880
Work with 1,2-Dichlorobutane
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
1,2,3-Trichloropropane96-18-459 % similar
1,2-Dichloropentane1674-33-555 % similar
1-Chloro-2-methylbutane616-13-745 % similar
(+-)-2,3-Dichloro-1-propanol616-23-945 % similar
3-(Chloromethyl)heptane123-04-637 % similar
2-Chlorobutane78-86-436 % similar
1,2-Dichloropropane78-87-536 % similar
1,1,2-Trichloroethane79-00-535 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.