4-Chloro-1-fluoro-2-(trifluoromethyl)benzene

C₇H₃ClF₄CAS 89634-74-2198.54 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₃ClF₄
Molar mass: 198.54 g/mol
Exact mass: 197.9859 Da
logP: 3.50Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor85.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

89634-74-2

SMILES

C1=CC(=C(C=C1Cl)C(F)(F)F)F

InChIKey

PFLGDQIWYTWKCM-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClF4/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H

Weigh it out

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

Names and synonyms

1 names

5-Chloro-2-fluorobenzotrifluoride

Work with 4-Chloro-1-fluoro-2-(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-Dichloro-2-(trifluoromethyl)benzene320-50-362 % similar 1,4-Difluoro-2-(trifluoromethyl)benzene393-38-459 % similar 4-Chloro-1-iodo-2-(trifluoromethyl)benzene23399-77-158 % similar 1-Bromo-4-chloro-2-(trifluoromethyl)benzene344-65-058 % similar 2-Trifluoromethyl-4-chloroaniline445-03-458 % similar 2,4-Dichlorobenzotrifluoride320-60-557 % similar 4-Chloro-1,2-difluorobenzene696-02-656 % similar 4-Fluoro-3-(trifluoromethyl)aniline2357-47-355 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-3-fluorobenzotrifluoride32137-20-5 3-Chloro-4-fluorobenzotrifluoride78068-85-6 1-Chloro-4-fluoro-2-(trifluoromethyl)benzene89634-75-3 2-Chloro-4-fluoro-1-(trifluoromethyl)benzene94444-58-3 4-Chloro-2-fluorobenzotrifluoride94444-59-4

Elsewhere

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