Parachlorobenzotrifluoride
Properties
- Molecular formula
- C7H4ClF3
- Molar mass
- 180.55 g/mol
- Exact mass
- 179.9954 Da
- Density
- 1.334 g/mL (at 25 °C)
- Melting point
- −33 °C
- Boiling point
- 139.3 °C
- Flash point
- 42.8 °C (closed cup)
- Water solubility
- < 1 g/L (20 °C)
- logP
- 3.36Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor91.1% of notifiers
- H315 Causes skin irritation75.8% of notifiers
- H317 May cause an allergic skin reaction21.1% of notifiers
- H319 Causes serious eye irritation75.8% of notifiers
- H335 May cause respiratory irritation73.7% of notifiers
- H411 Toxic to aquatic life with long lasting effects36.3% of notifiers
Aggregated from 1,234 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
98-56-6SMILES
FC(F)(F)c1ccc(Cl)cc1InChIKey
QULYNCCPRWKEMF-UHFFFAOYSA-NInChI
InChI=1S/C7H4ClF3/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 and density.
Names and synonyms
22 names · show all
- Benzene, 1-chloro-4-(trifluoromethyl)-
- Toluene, p-chloro-α,α,α-trifluoro-
- 1-Chloro-4-(trifluoromethyl)benzene
- p-Chloro-α,α,α-trifluorotoluene
- p-Chlorobenzotrifluoride
- p-Chloro(trifluoromethyl)benzene
- p-Trifluoromethylphenyl chloride
- 4-Chlorobenzotrifluoride
- (p-Chlorophenyl)trifluoromethane
- 4-Chloro-α,α,α-trifluorotoluene
- p-(Trifluoromethyl)chlorobenzene
- 4-(Trifluoromethyl)chlorobenzene
- 4-Chloro(trifluoromethyl)benzene
- 4-Chlorobenzyltrifluoride
- Oxsol 100
- 4-(Trifluoromethyl)phenyl chloride
- NSC 10309
- Oxol 100
- 4-Trifluoromethyl-1-chlorobenzene
- 4-Chloro-1-trifluoromethylbenzene
- 4-Chloro-α,α,α-benzotrifluoride
- Oxsul 100
Work with Parachlorobenzotrifluoride
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(trifluoromethyl)benzene433-19-267 % similar
1-Chloro-3,5-bis(trifluoromethyl)benzene328-72-357 % similar
1,3-Dichloro-5-(trifluoromethyl)benzene54773-20-557 % similar
4-Fluorobenzotrifluoride402-44-852 % similar
4-Chlorobenzotrichloride5216-25-152 % similar
1,4-Dichlorobenzene106-46-750 % similar
Tris(4-trifluoromethylphenyl)phosphine13406-29-650 % similar
3,4-Dichlorobenzotrifluoride328-84-750 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.