1-Fluoro-4-(trichloromethyl)benzene

C₇H₄Cl₃FCAS 402-42-6213.46 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₄Cl₃F
Molar mass: 213.46 g/mol
Exact mass: 211.9363 Da
Boiling point: 121–125 °C (at 45 Torr)
logP: 3.65Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number

402-42-6

SMILES

Fc1ccc(C(Cl)(Cl)Cl)cc1

InChIKey

XOJYLEJZALFLLW-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Cl3F/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H

Weigh it out

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

Names and synonyms

8 names

Benzene, 1-fluoro-4-(trichloromethyl)-
Toluene, α,α,α-trichloro-p-fluoro-
Trichloro(p-fluorophenyl)methane
4-Fluorophenyltrichloromethane
p-Fluorobenzotrichloride
4-Fluorobenzotrichloride
α,α,α-Trichloro-p-fluorotoluene
NSC 10310

Work with 1-Fluoro-4-(trichloromethyl)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(trichloromethyl)benzene68-36-067 % similar 4-Fluorobenzotrifluoride402-44-852 % similar 4-Chlorobenzotrichloride5216-25-152 % similar 4,4',4''-Trifluorotrityl alcohol379-57-750 % similar 1,4-Difluorobenzene540-36-350 % similar Benzotrichloride98-07-750 % similar 2-Chloro-4-fluorobenzotrichloride88578-92-145 % similar 2-(4-Fluorophenyl)-2-propanol402-41-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Fluoro-3-(trichloromethyl)benzene401-77-4 1-Fluoro-2-(trichloromethyl)benzene488-98-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook