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30582-09-3

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Basic Information
CAS No.: 30582-09-3
Name: DIPHENYLAMINESULFONIC ACID SODIUM SALT
Molecular Structure:
Molecular Structure of 30582-09-3 (DIPHENYLAMINESULFONIC ACID SODIUM SALT)
Formula: C12H12N2NaO3S
Molecular Weight: 271.27
Synonyms: DIPHENYLAMINESULFONIC ACID SODIUM SALT;sodium dianilinosulphonate;Phenylaminobenzenesulfonic acid sodium salt
EINECS: 250-250-1
Boiling Point: 397.8 °C at 760 mmHg
Flash Point: 194.4 °C
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Specification

The Sodium dianilinosulphonate, with the CAS registry number 30582-09-3, is also known as sodium anilino N-phenylsulfamate. Its EINECS number is 250-250-1. This chemical's molecular formula is C12H12N2NaO3S and molecular weight is 287.2895. Its systematic name is called benzenamine, N-[[(phenylamino)oxy]sulfonyl]-, monosodium salt. 

Physical properties of Sodium dianilinosulphonate: (1)ACD/LogP: 2.83; (2)ACD/LogD (pH 5.5): 2.76; (3)ACD/LogD (pH 7.4): 1.71; (4)ACD/BCF (pH 5.5): 70.61; (5)ACD/BCF (pH 7.4): 6.39; (6)ACD/KOC (pH 5.5): 700.76; (7)ACD/KOC (pH 7.4): 63.39; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Flash Point: 194.4 °C; (12)Enthalpy of Vaporization: 64.82 kJ/mol; (13)Boiling Point: 397.8 °C at 760 mmHg; (14)Vapour Pressure: 1.55E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)NOS(=O)(=O)NC2=CC=CC=C2.[Na+]
(2)InChI: InChI=1S/C12H12N2O3S.Na/c15-18(16,14-12-9-5-2-6-10-12)17-13-11-7-3-1-4-8-11;/h1-10,13-14H;/q;+1
(3)InChIKey: AAQMBYNFRQVABA-UHFFFAOYSA-N