2-Hydroxy-5-sulfamoylbenzoic acid

Sulpiride Impurity 7 · 5-Sulfamoylsalicylic acid · 2-hydroxy-5-sulfaMoylbenzoic acid · 2-hydroxy-5-sulfonamidobenzoic acid · Benzoic acid, 5-(aminosulfonyl)-2-hydroxy-

https://huagongshe.com/en/chemical/7731270

2-Hydroxy-5-sulfamoylbenzoic acid molecular structure

Identifiers & Physical Properties

CAS No.	5378-41-6
Molecular formula	C7H7NO5S
Average molar mass	217.2 g/mol
SMILES	NS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIKey	WKQMYKUTVQZUBG-UHFFFAOYSA-N
PubChem CID	7731270
EC No.	641-620-7

Chemical & Physical Properties

XLogP	1.1
Topological polar surface area	126
Hydrogen bond donors	3
Hydrogen bond acceptors	6
Rotatable bonds	2
Heavy atoms	14
Formal charge	0
Complexity	319
Melting point	256-259℃ (ethanol )
Boiling point	509.1±60.0 °C(Predicted)
Density	1.679±0.06 g/cm3(Predicted)
pKa (acidity coefficient)	2.40±0.10(Predicted)

Safety & Regulations

GHS classification	WarningH302 (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)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)

GHS classification

WarningH302 (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)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 4 (100%)