Benzoic acid,3-[(methylamino)sulfonyl]- supplier

Name
3-[(Methylamino)sulphonyl]benzoic acid
EINECS
CAS No. 35623-11-1
Article Data8
CAS DataBase
Density 1.41 g/cm³
Solubility
Melting Point 211-213 °C
Formula C₈H₉NO₄S
Boiling Point 428.2 °C at 760 mmHg
Molecular Weight 215.23
Flash Point 212.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-(N-Methylsulfamoyl)benzoic acid;3-Methylsulfamoylbenzoic acid;NSC 74787;3-[(Methylamino)sulfonyl]benzenecarboxylic acid;
PSA 91.85000
LogP 1.76460

Benzoic acid,3-[(methylamino)sulfonyl]- Specification

The Benzoic acid,3-[(methylamino)sulfonyl]-, with the CAS registry number 35623-11-1, is also known as 3-(N-Methylsulfamoyl)benzoic acid. This chemical's molecular formula is C₈H₉NO₄S and molecular weight is 215.23. What's more, its systematic name is 3-(Methylsulfamoyl)benzoic acid and it belongs to the product categories of Acids and Derivatives; Boron, Nitrile, Thio & TM-Cpds; API intermediates.

Physical properties of Benzoic acid,3-[(methylamino)sulfonyl]- are: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.28; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 72.06 Å²; (11)Index of Refraction: 1.57; (12)Molar Refractivity: 50.12 cm³; (13)Molar Volume: 152.5 cm³; (14)Polarizability: 19.87×10^-24cm³; (15)Surface Tension: 53.2 dyne/cm; (16)Density: 1.41 g/cm³; (17)Flash Point: 212.7 °C; (18)Enthalpy of Vaporization: 72.02 kJ/mol; (19)Boiling Point: 428.2 °C at 760 mmHg; (20)Vapour Pressure: 4.3E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(NC)c1cc(C(=O)O)ccc1
(2)InChI: InChI=1S/C8H9NO4S/c1-9-14(12,13)7-4-2-3-6(5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
(3)InChIKey: UTZKLODUDPSLBT-UHFFFAOYSA-N

Product Name

3-[(Methylamino)sulphonyl]benzoic acid

Benzoic acid,3-[(methylamino)sulfonyl]- Specification

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