4-Methoxyphenyl carbonochloridate

C₈H₇ClO₃CAS 7693-41-6186.59 g/mol

Open in Covalent MOL file

Acyl halide Ether

Properties

Molecular formula: C₈H₇ClO₃
Molar mass: 186.59 g/mol
Exact mass: 186.0084 Da
Boiling point: 74 °C (at 3 Torr)
logP: 2.43Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

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
H318 Causes serious eye damage100% of notifiers
H331 Toxic if inhaled100% of notifiers

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

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

7693-41-6

SMILES

COc1ccc(OC(=O)Cl)cc1

InChIKey

CCFSGQKTSBIIHG-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO3/c1-11-6-2-4-7(5-3-6)12-8(9)10/h2-5H,1H3

Weigh it out

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

Names and synonyms

8 names

Carbonochloridic acid, 4-methoxyphenyl ester
Formic acid, chloro-, p-methoxyphenyl ester
Phenol, p-methoxy-, chloroformate
p-Methoxyphenyl chloroformate
4-Methoxyphenyl chloroformate
p-Methoxyphenoxycarbonyl chloride
p-Methoxyphenol chloroformate
4-Methoxyohenyl chloroformate

Work with 4-Methoxyphenyl carbonochloridate

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-Fluorophenyl chloroformate38377-38-760 % similar p-Bromophenyl chloroformate7693-44-960 % similar 4-Methoxybenzoyl chloride100-07-255 % similar 4-Nitrophenyl chloroformate7693-46-151 % similar 4,4′-Dimethoxybenzil1226-42-250 % similar 1,4-Dimethoxybenzene150-78-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloromandelic acid10421-85-9 4-Chlorophenoxyacetic acid122-88-3 3-Chloromandelic acid16273-37-3 3-Chloro-4-hydroxy-5-methoxybenzaldehyde19463-48-0 2-Chloro-4-methoxybenzoic acid21971-21-1 (R)-2-(4-Chlorophenyl)-2-hydroxyethanoic acid32189-36-9 3-Chloro-2-methoxybenzoic acid3260-93-3 3-Chloro-4-hydroxyphenylacetic acid33697-81-3

Elsewhere

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