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| CAS No.: | 70865-20-2 |
|---|---|
| Name: | Acid Yellow 199 |
| Molecular Structure: | |
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| Formula: | C19H15N4NaO6S |
| Molecular Weight: | 450.40 |
| Synonyms: | Benzenesulfonicacid, 4-[[4-[(4-hydroxy-2-methylphenyl)azo]phenyl]amino]-3-nitro-, monosodiumsalt (9CI);Acid Yellow 199;Acid Yellow A 4R;Apollo Nylon Fast Yellow M 4R;Best Acid Yellow A 4R;C.I. 14205;C.I. Acid Yellow 199;Daedo Acid Yellow 4R;Daedo Acid Yellow A 4R;Dycosweak Acid Brilliant Yellow A 4R;Nylomine Yellow A4R;Nylosan Yellow E 4RL;Rifa Acid Fast Yellow E 4R;Sellacid Orange PF;Triacid Fast Yellow 4RL; |
| EINECS: | 274-950-1 |
| Solubility: | 900mg/L at 20℃ |
| PSA: | 168.38000 |
| LogP: | 6.34890 |
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Specification
The IUPAC name of Benzenesulfonic acid,4-[[4-[2-(4-hydroxy-2-methylphenyl)diazenyl]phenyl]amino]-3-nitro-, sodium salt(1:1) is sodium 4-[4-[(2E)-2-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]anilino]-3-nitrobenzenesulfonate. With the CAS registry number 70865-20-2, it is also named as 4-((4-((4-Hydroxy-2-methylphenyl)azo)phenyl)amino)-3-nitrobenzenesulfonic acid, sodium salt. The product's categories are Dyes; Weak Acid Dyes; Acid Dyes, and the other registry number is 61931-26-8. In addition, its molecular formula is C19H15N4NaO6S and molecular weight is 450.40037.
The other characteristics of Benzenesulfonic acid,4-[[4-[2-(4-hydroxy-2-methylphenyl)diazenyl]phenyl]amino]-3-nitro-, sodium salt(1:1) can be summarized as: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 9; (3)Rotatable Bond Count: 4; (4)Tautomer Count: 15; (5)Exact Mass: 450.061; (6)MonoIsotopic Mass: 450.061; (7)Topological Polar Surface Area: 165; (8)Heavy Atom Count: 31; (9)Complexity: 849; (10)EINECS: 274-950-1.
Production and Uses of Benzenesulfonic acid,4-[[4-[2-(4-hydroxy-2-methylphenyl)diazenyl]phenyl]amino]-3-nitro-, sodium salt(1:1): frist, you can diazotize 2-Nitro-4'-aminodiphenylamine-4-sulfoacid. And then please couple it with Meta-cresol. And you will get the product after salting out, filtration, drying. Moreover, this chemical is mainly used for dyeing of nylon.
People can use the following data to convert to the molecule structure.
(1)SMILES:[Na+].O=C/3/C=C\C(=N/Nc2ccc(Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)cc2)\C(=C\3)C
(2)InChI:InChI=1/C19H16N4O6S.Na/c1-12-10-15(24)6-8-17(12)22-21-14-4-2-13(3-5-14)20-18-9-7-16(30(27,28)29)11-19(18)23(25)26;/h2-11,20-21H,1H3,(H,27,28,29);/q;+1/p-1/b22-17+
(3)InChIKey:QUMZGFZWXKDQFW-FYSBZMQTBK
(4)Std. InChI:InChI=1S/C19H16N4O6S.Na/c1-12-10-15(24)6-8-17(12)22-21-14-4-2-13(3-5-14)20-18-9-7-16(30(27,28)29)11-19(18)23(25)26;/h2-11,20-21H,1H3,(H,27,28,29);/q;+1/p-1/b22-17+
(5)Std. InChIKey:QUMZGFZWXKDQFW-GDHRODDYSA-M