2-Sulfamoylbenzoic acid

HCID 69436
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
37558-01-3
Standard SMILES
NS(=O)(=O)c1ccccc1C(=O)O
InChIKey
KDNIOKSLVIGAAN-UHFFFAOYSA-N
Molecular formula
C7H7NO4S
Average molar mass
201.2 g/mol
Monoisotopic mass
201.00957888

Names & identifiers

Preferred name
2-Sulfamoylbenzoic acid
IUPAC
2-sulfamoylbenzoic acid
English name
2-Carboxy phenylsulfamide
Molecular formula
C7H7NO4S
Molecular weight
201.2

Names & synonyms

2-Sulfamoylbenzoic acid632-24-6o-Sulfamoylbenzoic acidBenzoic acid, 2-(aminosulfonyl)-KBN32FEG3Z2-CARBOXYBENZENESULFONAMIDENSC-22975DTXSID50903017o-sulphamoylbenzoic acidRefChem:910263ortho-sulfamoylbenzoic acidDTXCID40853799
Show more names
O-sulfonamide benzoic acid2-Sulphamoylbenzoic acid 95%CHEMBRDG-BB 4010962RARECHEM AL BO 14812-Sulfamidobenzoic acidBenzoicacid,o-sulfamoyl-
211-174-42-(Aminosulfonyl)benzoic acid2-Carboxy phenylsulfamideBenzoic acid, o-sulfamoyl-2-Sulphamoylbenzoic acidMFCD001277042-(sulfamoylamino)benzoic acido-sulfonamidobenzoic acid

Database identifiers

CAS
37558-01-3、632-24-6
PubChem CID
69436
DTXSID
DTXSID50903017
UNII
KBN32FEG3Z
EC Number
211-174-4
Nikkaji
J134.708J

Properties

Computed structural properties

XLogP
-0.4
Topological polar surface area
106 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
13

Physicochemical properties

Melting point
154 · 154-156 °C
Boiling point
454.8 · 454.8±47.0 °C(Predicted)
Density
1.536 · 1.536±0.06 g/cm3(Predicted)
storage temp.
Store at room temperature
solubility
DMSO (Silghtly), Methanol (Slightly)
form
solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationCommission Regulation (EU) No 188/2011
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Regulatory information

Regulatory InformationCommission Regulation (EU) No 188/2011

Safety data

hs_code
2935909099
risk_code
36
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26

Chemistry & industry

Uses & manufacturing

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing InformationBenzoic acid, 2-(aminosulfonyl)-, sodium salt (1:1): INACTIVE

Applications

Uses2-(Aminosulfonyl)benzoic Acid can be used as reactant/reagent in synthesis and pharmacological activity of γ-(phenyloxamido)- and γ-(phenylsulfonyloxamido)butanoic acids.

Upstream & downstream products

Upstream raw materials

Suppliers53 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
沈阳中申泽康生物医学技术研究有限公司024-88590548 18698872706 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

Loading…