CAS No.98-43-1,2-Amino-4-sulfobenzoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	98-43-1
Name:	2-Amino-4-sulfobenzoic acid
Article Data:	15

Formula:	C₇H₇NO₅S
Molecular Weight:	217.202
Synonyms:	Anthranilicacid, 4-sulfo- (6CI,7CI,8CI);2-Amino-4-sulfobenzenecarboxylic acid;3-Amino-4-carboxybenzenesulfonic acid;4-Sulfoanthranilic acid;
EINECS:	202-668-0
Density:	1.709 g/cm³
Melting Point:	105 °C
Boiling Point:	360℃ at 97.5kPa
Risk Codes:	R36/37/38
PSA:	126.07000
LogP:	1.87570

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Specification

This chemical is called Benzoic acid, 2-amino-4-sulfo-, and its CAS registry number is 98-43-1. With the molecular formula of C₇H₇NO₅S, its molecular weight is 217.19. Additionally, it's used as neutral dyes intermediates.

Other characteristics of the Benzoic acid, 2-amino-4-sulfo- can be summarised as followings: (1)ACD/LogP: -0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.67; (4)ACD/LogD (pH 7.4): -4.83; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 81.29 Å²; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 46.99 cm³; (15)Molar Volume: 127 cm³; (16)Polarizability: 18.63×10^-24cm³; (17)Surface Tension: 87.6 dyne/cm; (18)Density: 1.709 g/cm³.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1ccc(cc1N)S(=O)(=O)O
2.InChI: InChI=1/C7H7NO5S/c8-6-3-4(14(11,12)13)1-2-5(6)7(9)10/h1-3H,8H2,(H,9,10)(H,11,12,13)
3.InChIKey:GRGSHONWRKRWGP-UHFFFAOYAR