3-Chloro-4,5-dihydroxybenzaldehyde

HCID 2468182CAS 34098-18-5

Substructure search Find similar structures

Basic information

Standard SMILES: O=Cc1cc(O)c(O)c(Cl)c1
InChIKey: RNNPYEYJHJEDLU-UHFFFAOYSA-N
Molecular formula: C7H5ClO3
Average molar mass: 172.56 g/mol
Monoisotopic mass: 171.9927217

Overview

inhibits adipogenesis of 3T3-L1 adipocyte cells

Names & identifiers

Preferred name: 3-Chloro-4,5-dihydroxybenzaldehyde
IUPAC: 3-chloro-4,5-dihydroxybenzaldehyde
English name: 3-CHLORO-4,5-DIHYDROXYBENZALDEHYDE
Molecular formula: C7H5ClO3
Molecular weight: 172.57

Names & synonyms

3-chloro-4,5-dihydroxybenzaldehyde34098-18-5DTXSID80955640RefChem:499850DTXCID801383629866-052-93-chloro-4,5-dihydroxy-benzaldehydeMFCD06380366Benzaldehyde,3-chloro-4,5-dihydroxy-5-chloro-3,4-dihydroxybenzaldehydeBenzaldehyde, 3-chloro-4,5-dihydroxy-SCHEMBL565112

Show more names

SCHEMBL9356262CHEMBL2205140SCHEMBL29459647RNNPYEYJHJEDLU-UHFFFAOYSA-N3,4-dihydroxy-5-chlorobenzaidehyde3,4-dihydroxy-5-chlorobenzaldehyde3-chloro-4,5-dihydroxy benzaldehydeSBB064924

Database identifiers

CAS: 34098-18-5
PubChem CID: 2468182
DTXSID: DTXSID80955640
ChEMBL: CHEMBL2205140
EC Number: 866-052-9
Nikkaji: J589.148E

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 151

Physicochemical properties

storage temp.: 2 · 2-8°C, stored under nitrogen
Appearance: Off-white to light brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H302-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315-H302-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362