1,1-Dichloroethane
Properties
- Molecular formula
- C2H4Cl2
- Molar mass
- 98.95 g/mol
- Exact mass
- 97.9690 Da
- Density
- 1.2521 g/mL (at 204 °C)
- Melting point
- −97.2 °C
- Boiling point
- 82–84 °C
- Water solubility
- 5.04 g/L (25 °C)
- logP
- 1.81Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vaporFlammable liquids
- H302 Harmful if swallowedAcute toxicity, oral
- H319 Causes serious eye irritationSerious eye damage/eye irritation
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
- H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 602-011-00-1), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P303+P361+P353, P304+P340, P305+P351+P338, P319, P330, P337+P317, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
1300-21-6SMILES
CC(Cl)ClInChIKey
SCYULBFZEHDVBN-UHFFFAOYSA-NInChI
InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Dichloroethane
- Ethane, dichloro-
- R 150A
Work with 1,1-Dichloroethane
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
Tanimoto similarity of circular fingerprints over the whole catalogue.