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2-Sulfobenzoic acid

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Name

2-Sulfobenzoic acid

EINECS 211-176-5
CAS No. 632-25-7 Density 1.62 g/cm3
PSA 100.05000 LogP 1.71230
Solubility N/A Melting Point 142 °C
Formula C7H6O5S Boiling Point N/A
Molecular Weight 202.188 Flash Point N/A
Transport Information N/A Appearance white solid
Safety 45-36/37/39-26 Risk Codes 34-22
Molecular Structure Molecular Structure of 632-25-7 (2-Sulfobenzoic acid) Hazard Symbols CorrosiveC
Synonyms

Benzoicacid, o-sulfo- (6CI,7CI,8CI);2-Carboxybenzenesulfonic acid;2-Sulfobenzoicacid;o-Carboxybenzenesulfonic acid;o-Sulfobenzoic acid;

Article Data 63

2-Sulfobenzoic acid Specification

The IUPAC name of 2-Sulfobenzoic acid is 2-sulfobenzoic acid. With the CAS registry number 632-25-7, it is also named as Benzoic acid, 2-sulfo-. The product is white solid, which should be stored in closed containers in a cool, dry warehouse away from the corrosion area. In addition, its molecular formula is C7H6O5S and molecular weight is 202.18.

The other characteristics of 2-Sulfobenzoic acid can be summarized as: (1)EINECS: 211-176-5; (2)ACD/LogP: 0.15; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -4.3; (5)ACD/LogD (pH 7.4): -4.35; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 5; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 2; (13)Polar Surface Area: 78.05 Å2; (14)Index of Refraction: 1.612; (15)Molar Refractivity: 43.37 cm3; (16)Molar Volume: 124.7 cm3; (17)Polarizability: 17.19×10-24cm3; (18)Surface Tension: 69.9 dyne/cm; (19)Density: 1.62 g/cm3; (20)Melting Point: 142 °C.

When you are using this chemical, please be cautious about it as the following: it may cause burns. It is also harmful if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: O=S(=O)(O)c1ccccc1C(=O)O
(2)InChI: InChI=1/C7H6O5S/c8-7(9)5-3-1-2-4-6(5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)
(3)InChIKey: ZMPRRFPMMJQXPP-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C7H6O5S/c8-7(9)5-3-1-2-4-6(5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)
(5)Std. InChIKey: ZMPRRFPMMJQXPP-UHFFFAOYSA-N

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