4-Fluorophenyl chloroformate

C₇H₄ClFO₂CAS 38377-38-7174.56 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₇H₄ClFO₂
Molar mass: 174.56 g/mol
Exact mass: 173.9884 Da
logP: 2.56Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H331 Toxic if inhaled100% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

38377-38-7

SMILES

O=C(Cl)Oc1ccc(F)cc1

InChIKey

MSBGPEACXKBQSX-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClFO2/c8-7(10)11-6-3-1-5(9)2-4-6/h1-4H

Weigh it out

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

Names and synonyms

3 names

Carbonochloridic acid, 4-fluorophenyl ester
p-Fluorophenyl chloroformate
4-Fluorophenyl carbonochloridate

Work with 4-Fluorophenyl chloroformate

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-Chlorophenyl chloroformate7693-45-062 % similar Phenyl chloroformate1885-14-961 % similar 4-Methoxyphenyl carbonochloridate7693-41-660 % similar p-Bromophenyl chloroformate7693-44-960 % similar 4-Fluorophenyl acetate405-51-655 % similar 4-Nitrophenyl chloroformate7693-46-151 % similar 4-Fluorobenzoyl chloride403-43-045 % similar 1,1′-Oxybis[4-fluorobenzene]330-93-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-fluorobenzoic acid102940-86-3 3-Chloro-2-fluorobenzoic acid161957-55-7 2-Chloro-5-fluorobenzoic acid2252-50-8 2-Chloro-4-fluorobenzoic acid2252-51-9 3-Chloro-5-fluorobenzoic acid25026-64-6 5-Chloro-2-fluorobenzoic acid394-30-9 3-Chloro-4-fluorobenzoic acid403-16-7 4-Chloro-3-fluorobenzoic acid403-17-8

Elsewhere

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