Benzoic acid, 2-sulfo-,ammonium salt (1:1) supplier

Name
2-SULFOBENZOIC ACID MONOAMMONIUM SALT
EINECS 230-077-8
CAS No. 6939-89-5
Article Data4
CAS DataBase
Density
Solubility
Melting Point 274-277°C
Formula C₇H₉NO₅S
Boiling Point 521 °C at 760 mmHg
Molecular Weight 219.218
Flash Point 268.9 °C
Transport Information
Appearance
Safety
Risk Codes R36/37/38
Molecular Structure
Hazard Symbols
Synonyms Ammonium o-carboxybenzenesulfonate;Ammonium 2-sulfobenzoate;
PSA 103.29000
LogP 2.03620

Benzoic acid, 2-sulfo-,ammonium salt (1:1) Specification

The Benzoic acid, 2-sulfo-,ammonium salt (1:1), with the CAS registry number 6939-89-5, is also known as Ammonium 2-sulfobenzoate and Ammonium o-carboxybenzenesulfonate. Its EINECS registry number is 230-077-8. This chemical's molecular formula is C₇H₉NO₅S and molecular weight is 219.22. What's more, its systematic name is called Ammonium 2-carboxybenzenesulfonate.

Physical properties about Benzoic acid, 2-sulfo-,ammonium salt (1:1) are: (1)ACD/LogP: 0.15; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.3; (4)ACD/LogD (pH 7.4): -4.35; (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: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 89.05 Å²; (13)Flash Point: 268.9 °C; (14)Enthalpy of Vaporization: 83.6 kJ/mol; (15)Boiling Point: 521 °C at 760 mmHg; (16)Vapour Pressure: 1.11E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S([O-])(=O)c1ccccc1C(=O)O.[NH4+]
(2) InChI: InChI=1/C7H6O5S.H3N/c8-7(9)5-3-1-2-4-6(5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);1H3
(3) InChIKey: PJGXSCHDOCZUNR-UHFFFAOYAH

Product Name

2-SULFOBENZOIC ACID MONOAMMONIUM SALT

Benzoic acid, 2-sulfo-,ammonium salt (1:1) Specification

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