1,1,1,3-Tetrachloropropane
Properties
- Molecular formula
- C3H4Cl4
- Molar mass
- 181.87 g/mol
- Exact mass
- 179.9067 Da
- Density
- 1.4463 g/mL (at 25 °C)
- Boiling point
- 157 °C
- logP
- 2.99Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Warning
- H226 Flammable liquid and vapor50% of notifiers
- H302 Harmful if swallowed75% of notifiers
- H315 Causes skin irritation75% of notifiers
- H319 Causes serious eye irritation75% of notifiers
- H332 Harmful if inhaled25% of notifiers
- H335 May cause respiratory irritation25% of notifiers
Aggregated from 4 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+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
1070-78-6SMILES
ClCCC(Cl)(Cl)ClInChIKey
UTACNSITJSJFHA-UHFFFAOYSA-NInChI
InChI=1S/C3H4Cl4/c4-2-1-3(5,6)7/h1-2H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Propane, 1,1,1,3-tetrachloro-
- HCC 250fb
- HCC 250
- 1,3,3,3-Tetrachloropropane
Work with 1,1,1,3-Tetrachloropropane
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-3,3-dimethylbutane2855-08-542 % similar
Chlorotrifluoropropane460-35-542 % similar
1,1,1,2-Tetrachloroethane630-20-641 % similar
1,2-Dichloroethane107-06-236 % similar
Trichloroethyl alcohol115-20-832 % similar
1,4-Dichlorobutane110-56-531 % similar
1,3-Dichloropropane142-28-931 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.