chempirical

2-Chloro-4-methylbenzotrifluoride

C8H6ClF3CAS 74483-46-8194.58 g/mol

Open in Covalent MOL file
FFFCl
Alkyl halideAryl halide

Properties

Molecular formula
C8H6ClF3
Molar mass
194.58 g/mol
Exact mass
194.0110 Da
logP
3.67Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
74483-46-8
SMILES
CC1=CC(=C(C=C1)C(F)(F)F)Cl
InChIKey
OHDYNLHQHOFWGR-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClF3/c1-5-2-3-6(7(9)4-5)8(10,11)12/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Chloro-4-methylbenzotrifluoride

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Dichlorobenzotrifluoride320-60-562 % similar 3-Chloro-4-trifluoromethylaniline445-13-658 % similar 4-Bromo-2-chlorobenzotrifluoride467435-07-058 % similar 2-Chlorobenzotrifluoride88-16-457 % similar 2,4-Dichloro-5-methylbenzotrifluoride115571-61-455 % similar 2-Bromo-5-methylbenzotrifluoride261952-20-953 % similar 2-Amino-5-methylbenzotrifluoride87617-23-053 % similar 3-Chloro-4-(trifluoromethyl)benzonitrile1092460-79-153 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Trifluoromethylbenzyl chloride21742-00-7 3-(Trifluoromethyl)benzyl chloride705-29-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook