Basic information
- Name:
Benzenesulfonic acid,ammonium salt (1:1)
- Superlist Name:
- Ammonium benzenesulfonate
- CAS No.:
19402-64-3
- Molecular Structure:
- Formula:
- C6H9NO3S
- Molecular Weight:
- 175.21
- Synonyms:
- Ammoniumbenzenesulfonate (6CI);Benzenesulfonic acid, ammonium salt (8CI,9CI);
- EINECS:
- 243-035-9
- Boiling Point:
- 389.3 °C at 760 mmHg
- Flash Point:
- 189.3 °C
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Specification
The Benzenesulfonic acid,ammonium salt (1:1), with the CAS registry number 19402-64-3, is also known as Ammonium benzenesulphonate. It belongs to the product category of Intermediates of Dyes and Pigments. Its EINECS number is 243-035-9. This chemical's molecular formula is C6H9NO3S and molecular weight is 175.21. What's more, its systematic name is benzenesulfonic acid ammoniate (1:1).
Physical properties of Benzenesulfonic acid,ammonium salt (1:1) are: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.03; (4)ACD/LogD (pH 7.4): -3.03; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.75 Å2; (13)Flash Point: 189.3 °C; (14)Enthalpy of Vaporization: 67.36 kJ/mol; (15)Boiling Point: 389.3 °C at 760 mmHg; (16)Vapour Pressure: 9.27E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1ccccc1.N
(2)Std. InChI: InChI=1S/C6H6O3S.H3N/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);1H3
(3)Std. InChIKey: WWLOCCUNZXBJFR-UHFFFAOYSA-N
