1,2-Dichloro-4-methyl-5-(trifluoromethyl)benzene

C₈H₅Cl₂F₃CAS 74483-51-5229.02 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₅Cl₂F₃
Molar mass: 229.02 g/mol
Exact mass: 227.9720 Da
logP: 4.32Crippen estimate
Polar surface area: 0.0 Å²
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

74483-51-5

SMILES

CC1=CC(=C(C=C1C(F)(F)F)Cl)Cl

InChIKey

OARYHYOOIUIKFZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H5Cl2F3/c1-4-2-6(9)7(10)3-5(4)8(11,12)13/h2-3H,1H3

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Names and synonyms

1 names

3,4-Dichloro-6-(trifluoromethyl)toluene

Work with 1,2-Dichloro-4-methyl-5-(trifluoromethyl)benzene

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-Chloro-4-methylbenzotrifluoride74483-46-852 % similar 2,4,5-Trichlorotoluene6639-30-150 % similar 2-Chlorobenzotrifluoride88-16-448 % similar 2,5-Dichloro-p-xylene1124-05-648 % similar 4-Fluoro-2-methyl-1-(trifluoromethyl)benzene80245-26-747 % similar 2-Chloro-5-iodobenzotrifluoride260355-20-245 % similar 4-Methyl-3-(trifluoromethyl)aniline65934-74-945 % similar 4-Methyl-3-(trifluoromethyl)bromobenzene86845-27-445 % similar

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

Same formula

2,3-Dichloro-4-(trifluoromethyl)toluene115571-58-9 1,2-Dichloro-3-methyl-4-(trifluoromethyl)benzene115571-59-0 2,4-Dichloro-5-methylbenzotrifluoride115571-61-4 1-(Dichloromethyl)-2-(trifluoromethyl)benzene707-72-2 1-(Dichloromethyl)-4-(trifluoromethyl)benzene82510-98-3

Elsewhere

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