CAS 111870-27-0 5-Chloro-3-formyl-2-hydroxybenzoic acid (HCID 183356)

Substructure search Find similar structures

Basic information

CAS: 111870-27-0
Standard SMILES: O=Cc1cc(Cl)cc(C(=O)O)c1O
InChIKey: WLGGJFMFRKYMDF-UHFFFAOYSA-N
Molecular formula: C8H5ClO4
Average molar mass: 200.57 g/mol
Monoisotopic mass: 199.98763632

Names & identifiers

Preferred name: 5-Chloro-3-formyl-2-hydroxybenzoic acid
IUPAC: 5-chloro-3-formyl-2-hydroxybenzoic acid

Names & synonyms

5-chloro-3-formyl-2-hydroxybenzoic acid111870-27-0DTXSID90149755RefChem:302505DTXCID3072246SCHEMBL10550218SCHEMBL30810210WLGGJFMFRKYMDF-UHFFFAOYSA-N5-Chloro-3-formyl-2-hydroxybenzoic aciDB-398401

Database identifiers

CAS: 111870-27-0
PubChem CID: 183356
DTXSID: DTXSID90149755
EC Number: 116-216-4
Nikkaji: J371.848D

Properties

Computed structural propertiesFilling in

XLogP: 1.7
Topological polar surface area: 74.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 218

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)

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