p-Tolyl chloroformate

HCID 70304

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Basic information

CAS: 52286-75-6
Standard SMILES: Cc1ccc(OC(=O)Cl)cc1
InChIKey: XOFZPIYYMJUNRG-UHFFFAOYSA-N
Molecular formula: C8H7ClO2
Average molar mass: 170.59 g/mol
Monoisotopic mass: 170.01345714

Names & identifiers

Preferred name: p-Tolyl chloroformate
IUPAC: (4-methylphenyl) carbonochloridate
English name: tolyl chloroformate
Molecular formula: C8H7ClO2
Molecular weight: 170.59298

Names & synonyms

p-Tolyl chloroformateEINECS 213-332-8RefChem:858231213-332-8937-62-24-Methylphenyl chloroformate(4-methylphenyl) carbonochloridatep-TolylchloroformateMFCD0001325552286-75-64-methylphenyl carbonochloridateTolyl chloroformate

Show more names

4-tolyl chloroformatep-tolyl carbonochloridate4-tolylchloroformateEINECS 257-815-1p-tolyl-chloroformatep-methylphenyl chloroformatep-Tolyl chloroformate, 97%SCHEMBL652260

Database identifiers

CAS: 52286-75-6、937-62-2
PubChem CID: 70304
DTXSID: DTXSID80918199
EC Number: 213-332-8、257-815-1
Nikkaji: J265.444J

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 139

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

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, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.