Hexachlorobutadiene
Properties
- Molecular formula
- C4Cl6
- Molar mass
- 260.74 g/mol
- Exact mass
- 257.8131 Da
- Density
- 1.556 g/mL (at 25 °C)
- Melting point
- −21 °C
- Boiling point
- 215 °C
- Flash point
- 90 °C
- Water solubility
- 3.2 mg/L
- logP
- 4.76Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed68.1% of notifiers
- H302 Harmful if swallowed27.7% of notifiers
- H310 Fatal in contact with skin59.6% of notifiers
- H312 Harmful in contact with skin34% of notifiers
- H315 Causes skin irritation87.2% of notifiers
- H317 May cause an allergic skin reaction27.7% of notifiers
- H318 Causes serious eye damage36.2% of notifiers
- H319 Causes serious eye irritation23.4% of notifiers
- H330 Fatal if inhaled14.9% of notifiers
- H332 Harmful if inhaled27.7% of notifiers
- H351 Suspected of causing cancer46.8% of notifiers
- H371 May cause damage to organs12.8% of notifiers
- H400 Very toxic to aquatic life85.1% of notifiers
- H410 Very toxic to aquatic life with long lasting effects57.4% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P316, P317, P318, P320, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
87-68-3SMILES
ClC(Cl)=C(Cl)C(Cl)=C(Cl)ClInChIKey
RWNKSTSCBHKHTB-UHFFFAOYSA-NInChI
InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- 1,3-Butadiene, 1,1,2,3,4,4-hexachloro-
- Butadiene, hexachloro-
- 1,1,2,3,4,4-Hexachloro-1,3-butadiene
- Hexachloro-1,3-butadiene
- C 46
- Perchlorobutadiene
- Perchloro-1,3-butadiene
- HCB
- NSC 3701
Work with Hexachlorobutadiene
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
Tetrachloroethylene127-18-450 % similar
Perchlorofulvalene6298-65-338 % similar
Chloranil118-75-233 % similar
Dichlorodifluoroethylene79-35-633 % similar
O-Chloranil2435-53-231 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.