4-Chlorobenzotrichloride
Properties
- Molecular formula
- C7H4Cl4
- Molar mass
- 229.91 g/mol
- Exact mass
- 227.9067 Da
- Boiling point
- 245 °C
- logP
- 4.17Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowedAcute toxicity, oral
- H312 Harmful in contact with skinAcute toxicity, dermal
- H315 Causes skin irritationSkin corrosion/irritation
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
- H350 May cause cancerCarcinogenicity
- H361f *** Suspected of damaging fertilityReproductive toxicity
- H372 ** Causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
Harmonised EU classification (CLP Annex VI, index 602-093-00-9), via PubChem.
Precautionary statements
P203, P260, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
5216-25-1SMILES
Clc1ccc(C(Cl)(Cl)Cl)cc1InChIKey
LVZPKYYPPLUECL-UHFFFAOYSA-NInChI
InChI=1S/C7H4Cl4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- Benzene, 1-chloro-4-(trichloromethyl)-
- Toluene, p,α,α,α-tetrachloro-
- 1-Chloro-4-(trichloromethyl)benzene
- p-Chlorobenzotrichloride
- p-Chlorophenyltrichloromethane
- 4,α,α,α-Tetrachlorotoluene
- p,α,α,α-Tetrachlorotoluene
- α,α,α,4-Tetrachlorotoluene
- p-(Trichloromethyl)chlorobenzene
- α,α,α,p-Tetrachlorotoluene
- α,α,α-Trichloro-4-chlorotoluene
- p-Chloro-α,α,α-trichlorotoluene
Work with 4-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
1,4-Bis(trichloromethyl)benzene68-36-071 % similar
1,4-Dichlorobenzene106-46-753 % similar
Benzotrichloride98-07-752 % similar
1-Chloro-4-(1,1-dimethylethyl)benzene3972-56-352 % similar
1-Fluoro-4-(trichloromethyl)benzene402-42-652 % similar
Parachlorobenzotrifluoride98-56-652 % similar
Dicofol115-32-250 % similar
1,3-Bis(trichloromethyl)benzene881-99-250 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.