1-(Dichloromethyl)-4-(trifluoromethyl)benzene

C₈H₅Cl₂F₃CAS 82510-98-3229.02 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₅Cl₂F₃
Molar mass: 229.02 g/mol
Exact mass: 227.9720 Da
logP: 4.18Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

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

82510-98-3

SMILES

C1=CC(=CC=C1C(Cl)Cl)C(F)(F)F

InChIKey

GDZMMXXMEMTSJY-UHFFFAOYSA-N

InChI

InChI=1S/C8H5Cl2F3/c9-7(10)5-1-3-6(4-2-5)8(11,12)13/h1-4,7H

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Names and synonyms

1 names

4-(Trifluoromethyl)benzal chloride

Work with 1-(Dichloromethyl)-4-(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

1,4-Bis(trifluoromethyl)benzene433-19-257 % similar Tris(4-trifluoromethylphenyl)phosphine13406-29-650 % similar α-Methyl-4-(trifluoromethyl)benzenemethanol1737-26-450 % similar 1-(Dichloromethyl)-4-fluorobenzene456-19-950 % similar Parachlorobenzotrifluoride98-56-650 % similar 4-(Trifluoromethyl)benzhydrol395-23-348 % similar 4-Fluorobenzotrifluoride402-44-846 % similar 1-Bromo-4-(trifluoromethyl)benzene402-43-744 % 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 1,2-Dichloro-4-methyl-5-(trifluoromethyl)benzene74483-51-5

Elsewhere

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