3-Chloro-4-trifluoromethylaniline
Properties
- Molecular formula
- C7H5ClF3N
- Molar mass
- 195.57 g/mol
- Exact mass
- 195.0063 Da
- Boiling point
- 112–115 °C
- logP
- 2.94Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
445-13-6SMILES
Nc1ccc(C(F)(F)F)c(Cl)c1InChIKey
KZAMRRANXJVDCD-UHFFFAOYSA-NInChI
InChI=1S/C7H5ClF3N/c8-6-3-4(12)1-2-5(6)7(9,10)11/h1-3H,12H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzenamine, 3-chloro-4-(trifluoromethyl)-
- p-Toluidine, 3-chloro-α,α,α-trifluoro-
- 3-Chloro-4-(trifluoromethyl)benzenamine
- 4-Amino-2-chlorobenzotrifluoride
- (3-Chloro-4-trifluoromethylphenyl)amine
- 3-Chloro-4-trifluoromethylbenzenamine
- 3-Chloro-4-(trifluoromethyl)aniline
Work with 3-Chloro-4-trifluoromethylaniline
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-Dichlorobenzotrifluoride320-60-560 % similar
3-Fluoro-4-(trifluoromethyl)aniline69411-68-358 % similar
2-Chloro-4-methylbenzotrifluoride74483-46-858 % similar
2-Chloro-4-fluoro-1-(trifluoromethyl)benzene94444-58-358 % similar
2,2'-Bis(trifluoromethyl)benzidine341-58-257 % similar
4-Bromo-2-chlorobenzotrifluoride467435-07-056 % similar
3-Chloro-4-(trifluoromethyl)benzyl amine361393-93-356 % similar
2-Chlorobenzotrifluoride88-16-455 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
2-Chloro-5-(trifluoromethyl)aniline121-50-6
2-Chloro-6-methyl-4-(trifluoromethyl)pyridine22123-14-4
4-Chloro-3-(trifluoromethyl)aniline320-51-4
5-(Chloromethyl)-2-(trifluoromethyl)pyridine386715-33-9
2-Chloro-4-trifluoromethylaniline39885-50-2
3-Chloro-2-(trifluoromethyl)aniline432-21-3
2-Chloro-6-(trifluoromethyl)benzenamine433-94-3
2-Trifluoromethyl-4-chloroaniline445-03-4