1-(Dichloromethyl)-4-fluorobenzene

C₇H₅Cl₂FCAS 456-19-9179.02 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₅Cl₂F
Molar mass: 179.02 g/mol
Exact mass: 177.9752 Da
Density: 1.3488 g/mL (at 20 °C)
Boiling point: 81–83 °C (at 15 Torr)
logP: 3.30Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin97.5% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

456-19-9

SMILES

Fc1ccc(C(Cl)Cl)cc1

InChIKey

MFIOEEWGBMJNGG-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Cl2F/c8-7(9)5-1-3-6(10)4-2-5/h1-4,7H

Weigh it out

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

Names and synonyms

6 names

Benzene, 1-(dichloromethyl)-4-fluoro-
Toluene, α,α-dichloro-p-fluoro-
p-Fluorobenzal chloride
4-Fluorobenzal chloride
α,α-Dichloro-4-fluorotoluene
NSC 60716

Work with 1-(Dichloromethyl)-4-fluorobenzene

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

4,4′-Difluorobenzhydryl chloride27064-94-464 % similar Benzal chloride29797-40-850 % similar Bis(4-fluorophenyl)methanol365-24-250 % similar 1,4-Difluorobenzene540-36-350 % similar 1-(Dichloromethyl)-4-(trifluoromethyl)benzene82510-98-350 % similar Benzal chloride98-87-350 % similar (R)-1-(4-Fluorophenyl)ethanol101219-68-544 % similar (-)-1-(4-Fluorophenyl)ethanol101219-73-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-4-chlorobenzyl chloride160658-68-4 1-(Dichloromethyl)-2-fluorobenzene320-65-0 1-(Dichloromethyl)-3-fluorobenzene402-64-2 2-Chloro-6-fluorobenzyl chloride55117-15-2 4-Chloro-2-fluorobenzyl chloride87417-71-8 2-Chloro-1-(chloromethyl)-4-fluorobenzene93286-22-7

Elsewhere

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