2-Chloro-5-hydroxybenzoic acid

HCID 458210CAS 56961-30-9

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)c1cc(O)ccc1Cl
InChIKey: UTVCLUZQPSRKMY-UHFFFAOYSA-N
Molecular formula: C7H5ClO3
Average molar mass: 172.56 g/mol
Monoisotopic mass: 171.9927217

Names & identifiers

Preferred name: 2-Chloro-5-hydroxybenzoic acid
IUPAC: 2-chloro-5-hydroxybenzoic acid
English name: 2-CHLORO-5-HYDROXYBENZOIC ACID
Molecular formula: C7H5ClO3
Molecular weight: 172.57

Names & synonyms

2-Chloro-5-hydroxybenzoic acid56961-30-9DTXSID90332488RefChem:86289DTXCID30283581629-948-9MFCD04038818C7H5ClO32-Chloro-5-hydroxybenzene carboxylic acid2-chloro-5-hydroxy-benzoic acidSCHEMBL201278CL8039

Show more names

2-Chloro-5-hyroxybenzoicacid3-Carboxy-4-chlorophenol2-Chloro-5-hydroxybenzoic2-Chloro-5-hydroxybenzoic Acid >2-Chloro-5-hydroxybenzoic acid 98%

AKOS005257970CS-W007855FS-2095Z12016226972-chloro-5-hydroxybenzoicacidBenzoic acid, 2-chloro-5-hydroxy-AM808243FT-0682366

Database identifiers

CAS: 56961-30-9
PubChem CID: 458210
DTXSID: DTXSID90332488
EC Number: 629-948-9
Nikkaji: J2.158.994B

Properties

Computed structural properties

XLogP: 1.8
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: 160

Physicochemical properties

Melting point: 178 · 178-180°C
Boiling point: 364.5 · 364.5±27.0 °C(Predicted)
Density: 1.536 · 1.536±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 2.78 · 2.78±0.25(Predicted)
color: White to Light yellow
CAS DataBase Reference: 56961 · 56961-30-9
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37
HazardClass: IRRITANT
HS Code: 29182900 · 29182900

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 11 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 29182900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses2-Chloro-5-hydroxybenzoic Acid acts as a reagent for the synthesis, structure-activity relationship, and biological evaluation of a series of benzamides as potential multireceptor antipsychotics.