chempirical

Phenyl chloroformate

C7H5ClO2CAS 1885-14-9156.56 g/mol

Open in Covalent MOL file
OClO
Acyl halide

Properties

Molecular formula
C7H5ClO2
Molar mass
156.56 g/mol
Exact mass
155.9978 Da
Melting point
38–38.5 °C
Boiling point
185 °C
logP
2.42Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
1885-14-9
SMILES
O=C(Cl)Oc1ccccc1
InChIKey
AHWALFGBDFAJAI-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClO2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H

Weigh it out

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

Names and synonyms

9 names
  • Carbonochloridic acid, phenyl ester
  • Formic acid, chloro-, phenyl ester
  • Chloroformic acid phenyl ester
  • Phenyl chlorocarbonate
  • Phenyl carbonochloridate
  • Phenyloxycarbonyl chloride
  • Phenylchloroformic acid
  • NSC 210946
  • Chlorocarbonic acid phenyl ester

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

Similar compounds

4-Fluorophenyl chloroformate38377-38-761 % similar 4-Methoxyphenyl carbonochloridate7693-41-661 % similar p-Bromophenyl chloroformate7693-44-961 % similar Diphenyl carbonate102-09-056 % similar 4-Nitrophenyl chloroformate7693-46-152 % similar Phenyl chlorothionoformate1005-56-750 % similar Phenyl acetate122-79-250 % similar 1,4-Diphenyl 1,4-benzenedicarboxylate1539-04-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Chlorobenzoic acid118-91-2 2-Chloro-5-methyl-1,4-benzoquinone19832-87-2 3-Chloro-4-hydroxybenzaldehyde2420-16-8 3-Chlorobenzoic acid535-80-8 2-Chloro-4-hydroxybenzaldehyde56962-11-9 5-Chlorosalicylaldehyde635-93-8 5-Chloro-1,3-benzodioxole7228-38-8 4-Chlorobenzoic acid74-11-3

Elsewhere

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