CAS 104593-59-1 2-Chloromethylbenzofuran (HCID 184348)

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Basic information

CAS: 104593-59-1
Standard SMILES: ClCc1cc2ccccc2o1
InChIKey: LSGCBNJHZGJEEJ-UHFFFAOYSA-N
Molecular formula: C9H7ClO
Average molar mass: 166.6 g/mol
Monoisotopic mass: 166.01854252

Overview

structure in first source

Names & identifiers

Preferred name: 2-Chloromethylbenzofuran
IUPAC: 2-(chloromethyl)-1-benzofuran
English name: 2-chloromethylbenzofuran
Molecular formula: C9H7ClO
Molecular weight: 166.6

Names & synonyms

2-chloromethylbenzofuranRefChem:846212-(chloromethyl)benzofuran36754-60-62-(chloromethyl)-1-benzofuran104593-59-1MFCD000527402- chloromethylbenzofuran2-(Chloromethyl) benzofuran2-(Chloromethyl);benzofuran2-chloromethylbenzo[b]-furanSCHEMBL4149836

Show more names

Benzofuran, 2-(chloromethyl)-

SCHEMBL17185672DTXSID30146602LSGCBNJHZGJEEJ-UHFFFAOYSA-NLBA75460AC6009AKOS005198837DA-06391SY045662

Database identifiers

CAS: 104593-59-1、36754-60-6
PubChem CID: 184348
DTXSID: DTXSID30146602
EC Number: 971-359-7
Nikkaji: J267.283I

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 13.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 138

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.