Benzoic acid,3-(aminosulfonyl)- supplier

Name
3-SULFAMOYL-BENZOIC ACID
EINECS
CAS No. 636-76-0
Article Data15
CAS DataBase
Density 1.536 g/cm³
Solubility
Melting Point 251-252℃
Formula C₇H₇NO₄S
Boiling Point 476.1 °C at 760 mmHg
Molecular Weight 201.203
Flash Point 241.7 °C
Transport Information
Appearance
Safety 26-24/25-22
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms Benzoicacid, m-sulfamoyl- (6CI,7CI,8CI);Benzoic acid, m-sulfamyl- (4CI);3-Aminosulfonylbenzoic acid;3-Carboxybenzenesulfonamide;3-Sulfamoylbenzoicacid;NSC 22977;NSC 85501;m-Sulfamidobenzoic acid;
PSA 105.84000
LogP 1.81330

Benzoic acid,3-(aminosulfonyl)- Specification

The Benzoic acid,3-(aminosulfonyl)-, with the CAS registry number 636-76-0, is also known as 3-(Aminosulfonyl)benzoic acid. It belongs to the product categories of Acids and Derivatives; Boron, Nitrile, Thio & TM-Cpds. This chemical's molecular formula is C₇H₇NO₄S and molecular weight is 201.2. Its IUPAC name is called 3-sulfamoylbenzoic acid.

Physical properties of Benzoic acid,3-(aminosulfonyl)-: (1)ACD/LogP: 0.40; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.611; (10)Molar Refractivity: 45.46 cm³; (11)Molar Volume: 130.9 cm³; (12)Surface Tension: 66.2 dyne/cm; (13)Density: 1.536 g/cm³; (14)Flash Point: 241.7 °C; (15)Enthalpy of Vaporization: 77.93 kJ/mol; (16)Boiling Point: 476.1 °C at 760 mmHg; (17)Vapour Pressure: 7.15E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)N)C(=O)O
(2)InChI: InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
(3)InChIKey: NAETXYOXMDYNLE-UHFFFAOYSA-N

Product Name

3-SULFAMOYL-BENZOIC ACID

Benzoic acid,3-(aminosulfonyl)- Specification

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