1,1,1,2,2,3,3-Heptachloropropane
Properties
- Molecular formula
- C3HCl7
- Molar mass
- 285.19 g/mol
- Exact mass
- 281.7898 Da
- Density
- 1.8048 g/mL (at 34 °C)
- Melting point
- 29.4 °C
- Boiling point
- 247.5 °C
- logP
- 4.33Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
- H413 May cause long lasting harmful effects to aquatic life100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
594-89-8SMILES
ClC(Cl)C(Cl)(Cl)C(Cl)(Cl)ClInChIKey
YFIIENAGGCUHIQ-UHFFFAOYSA-NInChI
InChI=1S/C3HCl7/c4-1(5)2(6,7)3(8,9)10/h1HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Propane, 1,1,1,2,2,3,3-heptachloro-
- 1,1,2,2,3,3,3-Heptachloropropane
- NSC 7298
Reactions
Work with 1,1,1,2,2,3,3-Heptachloropropane
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
1,1,2,2,3-Pentachlorocyclopropane6262-51-739 % similar
Pentachloroethane76-01-739 % similar
1,2,2-Trichloro-1,1-difluoroethane354-21-233 % similar
Hexachloroethane67-72-133 % similar
1,1,2,2,3-Pentachloropropane16714-68-430 % similar
2,2-Dichloro-1,1,1-trifluoroethane306-83-230 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds