2-Chloro-4-fluoro-1-methylbenzene

C₇H₆ClFCAS 452-73-3144.57 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₇H₆ClF
Molar mass: 144.57 g/mol
Exact mass: 144.0142 Da
Density: 1.1972 g/mL (at 20 °C)
Boiling point: 151.5–153 °C
logP: 2.79Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 46 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

452-73-3

SMILES

Cc1ccc(F)cc1Cl

InChIKey

CSARJIQZOSVYHA-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClF/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3

Weigh it out

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

Names and synonyms

5 names

Benzene, 2-chloro-4-fluoro-1-methyl-
Toluene, 2-chloro-4-fluoro-
2-Chloro-4-fluorotoluene
4-Fluoro-2-chlorotoluene
NSC 88317

Work with 2-Chloro-4-fluoro-1-methylbenzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2-Dichloro-4-fluorobenzene1435-49-060 % similar 4-Fluoro-1,2-dimethylbenzene452-64-260 % similar Chloro-p-xylene95-72-758 % similar 2-Chloro-4-fluoro-1-iodobenzene101335-11-957 % similar 1-Chloro-2,5-difluorobenzene2367-91-156 % similar 2,4-Difluoro-1-methylbenzene452-76-656 % similar 2,4-Dichlorotoluene95-73-856 % similar 4-Fluoro-2-iodo-1-methylbenzene13194-67-754 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-1-fluoro-4-methylbenzene1513-25-3 1-Chloro-4-fluoro-2-methylbenzene33406-96-1 2-Fluorobenzyl chloride345-35-7 4-Fluorobenzyl chloride352-11-4 2-Chloro-6-fluorotoluene443-83-4 4-Chloro-1-fluoro-2-methylbenzene452-66-4 4-Chloro-2-fluoro-1-methylbenzene452-75-5 3-Fluorobenzyl chloride456-42-8

Elsewhere

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