O-Chlorobenzotrichloride
Properties
- Molecular formula
- C7H4Cl4
- Molar mass
- 229.91 g/mol
- Exact mass
- 227.9067 Da
- Melting point
- 29.4 °C
- Boiling point
- 264.3 °C
- logP
- 4.17Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H290 May be corrosive to metals19.7% of notifiers
- H302 Harmful if swallowed98.9% of notifiers
- H315 Causes skin irritation96.3% of notifiers
- H319 Causes serious eye irritation96.3% of notifiers
- H335 May cause respiratory irritation76.1% of notifiers
- H341 Suspected of causing genetic defects75.5% of notifiers
- H350 May cause cancer76.1% of notifiers
- H351 Suspected of causing cancer22.9% of notifiers
- H412 Harmful to aquatic life with long lasting effects75.5% of notifiers
Aggregated from 188 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P234, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P390, P403+P233, P405, P406, P501
Identifiers
CAS number
2136-89-2SMILES
Clc1ccccc1C(Cl)(Cl)ClInChIKey
MFHPYLFZSCSNST-UHFFFAOYSA-NInChI
InChI=1S/C7H4Cl4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzene, 1-chloro-2-(trichloromethyl)-
- Toluene, o,α,α,α-tetrachloro-
- 1-Chloro-2-(trichloromethyl)benzene
- o-Chlorophenyltrichloromethane
- 2-Chlorobenzotrichloride
- o-Chlorobenzylidyne chloride
- α,α,α,2-Tetrachlorotoluene
- NSC 59736
Work with O-Chlorobenzotrichloride
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
2,4-Dichlorobenzotrichloride13014-18-158 % similar
2-Chlorobenzotrifluoride88-16-456 % similar
2-Chlorotrityl chloride42074-68-056 % similar
2-Chloro-4-fluorobenzotrichloride88578-92-154 % similar
1-Fluoro-2-(trichloromethyl)benzene488-98-250 % similar
1,2-Dichlorobenzene95-50-150 % similar
1-(Dichloromethyl)-2-(trichloromethyl)benzene2741-57-346 % similar
1,3-Bis(trichloromethyl)benzene881-99-246 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.