1,3-Dichloropropane
Properties
- Molecular formula
- C3H6Cl2
- Molar mass
- 112.98 g/mol
- Exact mass
- 111.9847 Da
- Density
- 1.1876 g/mL (at 20 °C)
- Melting point
- −99.5 °C
- Boiling point
- 120.4 °C
- Flash point
- 16 °C (open cup)
- Water solubility
- 3 g/L (20 °C)
- logP
- 1.85Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 2
Hazards
Danger
- H225 Highly Flammable liquid and vapor20.6% of notifiers
- H226 Flammable liquid and vapor79.4% of notifiers
- H317 May cause an allergic skin reaction73.8% of notifiers
- H319 Causes serious eye irritation77.3% of notifiers
- H412 Harmful to aquatic life with long lasting effects85.8% of notifiers
Aggregated from 141 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264+P265, P272, P273, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501
Identifiers
CAS number
142-28-9SMILES
ClCCCClInChIKey
YHRUOJUYPBUZOS-UHFFFAOYSA-NInChI
InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Propane, 1,3-dichloro-
- Trimethylene dichloride
- R 270Fa
- NSC 6204
Work with 1,3-Dichloropropane
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
1,4-Dichlorobutane110-56-578 % similar
1,10-Dichlorodecane2162-98-370 % similar
1,8-Dichlorooctane2162-99-470 % similar
1,6-Dichlorohexane2163-00-070 % similar
1,5-Dichloropentane628-76-270 % similar
1,2-Dichloroethane107-06-256 % similar
1-Chlorobutane109-69-350 % similar
1-Bromo-3-chloropropane109-70-650 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.