Hexachlorocyclopentadiene
Properties
- Molecular formula
- C5Cl6
- Molar mass
- 272.75 g/mol
- Exact mass
- 269.8131 Da
- Density
- 1.7019 g/mL (at 25 °C)
- Melting point
- −9 °C
- Boiling point
- 239 °C
- Water solubility
- 1.8 mg/L (25 °C)
- logP
- 4.55Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowedAcute toxicity, oral
- H311 Toxic in contact with skinAcute toxicity, dermal
- H314 Causes severe skin burns and eye damageSkin corrosion/irritation
- H330 Fatal if inhaledAcute toxicity, inhalation
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 602-078-00-7), via PubChem.
Precautionary statements
P260, P262, P264, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P361+P364, P363, P391, P403+P233, P405, P501
Identifiers
CAS number
77-47-4SMILES
ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1ClInChIKey
VUNCWTMEJYMOOR-UHFFFAOYSA-NInChI
InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-
- Cyclopentadiene, hexachloro-
- 1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene
- C 56
- HRS 1655
- Graphlox
- Perchlorocyclopentadiene
- Hexachloro-1,3-cyclopentadiene
- NSC 9235
- 1,2,3,4,5,5-Hexachlorocyclopentadiene
Work with Hexachlorocyclopentadiene
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
Hexachloropropene1888-71-733 % similar
2,3-Dichloro-1,1,1,4,4,4-hexafluoro-2-butene303-04-830 % similar
1,2-Dichlorotetrafluorocyclobutene-1377-93-530 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.