p-Bromophenyl chloroformate

C₇H₄BrClO₂CAS 7693-44-9235.46 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₇H₄BrClO₂
Molar mass: 235.46 g/mol
Exact mass: 233.9083 Da
logP: 3.19Crippen 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
H318 Causes serious eye damage97.5% 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

7693-44-9

SMILES

O=C(Cl)Oc1ccc(Br)cc1

InChIKey

IKMNJYGTSSQNSE-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrClO2/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H

Weigh it out

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

Names and synonyms

4 names

Carbonochloridic acid, 4-bromophenyl ester
Formic acid, chloro-, p-bromophenyl ester
Phenol, p-bromo-, chloroformate
4-Bromophenyl chloroformate

Work with p-Bromophenyl 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-Fluorophenyl chloroformate38377-38-760 % similar 4-Methoxyphenyl carbonochloridate7693-41-660 % similar 4-Nitrophenyl chloroformate7693-46-151 % similar 4-Bromobenzoyl chloride586-75-445 % similar 4,4'-Dibromodiphenyl ether2050-47-744 % similar 2-(4-Bromophenoxy)acetic acid1878-91-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-5-chlorosalicylaldehyde19652-32-5 5-Bromo-2-chlorobenzoic acid21739-92-4 2-Bromo-5-chlorobenzoic acid21739-93-5 4-Bromo-3-chlorobenzoic acid25118-59-6 3-Bromo-5-chlorobenzoic acid42860-02-6 3-Bromo-4-chlorobenzoic acid42860-10-6 3-Bromo-2-chlorobenzoic acid56961-27-4 4-Bromo-2-chlorobenzoic acid59748-90-2

Elsewhere

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