Basic information
- Name:
Benzenesulfonic acid,4-(phenylamino)-, sodium salt (1:1)
- Superlist Name:
- Sodium diphenylamine-4-sulfonate
- CAS No.:
6152-67-6
- Molecular Structure:
- Formula:
- C12H10NNaO3S
- Molecular Weight:
- 271.26
- Deleted CAS:
- 749923-78-2
- Synonyms:
- Benzenesulfonicacid, 4-(phenylamino)-, monosodium salt (9CI);Sulfanilic acid, N-phenyl-, sodiumsalt (7CI,8CI);N-Phenylsulfanilic acid sodium salt;SDPAS;Sodiumdiphenylamine-4-sulfonate;
- EINECS:
- 228-165-6
- Solubility:
- Soluble in water
- Appearance:
- off-white powder
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 37/39-26-36-36/37 Details
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Specification
The IUPAC name of Benzenesulfonic acid,4-(phenylamino)-, sodium salt (1:1) is sodium 4-anilinobenzenesulfonate. With the CAS registry number 6152-67-6, it is also named as N-Phenylsulfanilic acid, sodium salt. And it is off-white powder which is soluble in water and hot alcohol. In addition, this chemical is stable and incompatible with strong oxidizing agents, strong acids. Furthermore, Benzenesulfonic acid,4-(phenylamino)-, sodium salt (1:1) is used as a general analytical reagents, redox indicator and desulfurization agent in the production of urea.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.57; (4)ACD/LogD (pH 7.4): -1.58; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Rotatable Bond Count: 3; (13)Exact Mass: 271.027909; (14)MonoIsotopic Mass: 271.027909; (15)Topological Polar Surface Area: 77.6; (16)Heavy Atom Count: 18; (17)Complexity: 328.
Preparation of Benzenesulfonic acid,4-(phenylamino)-, sodium salt (1:1): Diphenylamine and concentrated sulfuric acid react at 180 °C to obtain diphenylamine sulfonic acid. And then using sodium hydroxide and barium chloride to get sodium salt.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES: [Na+].[O-]S(=O)(=O)c2ccc(Nc1ccccc1)cc2;
2. InChI: InChI=1/C12H11NO3S.Na/c14-17(15,16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;/h1-9,13H,(H,14,15,16);/q;+1/p-1.
