CAS No.6252-76-2,Acid violet 9 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6252-76-2
Name:	Acid violet 9

Formula:	C₃₄H₂₅N₂NaO₆S
Molecular Weight:	612.63
Synonyms:	Benzoicacid,o-[3-[(4-sulfo-o-tolyl)imino]-6-o-toluidino-3H-xanthen-9-yl]-, monosodiumsalt (8CI);Benzoic acid,o-[3-[(4-sulfo-o-tolyl)imino]-6-o-toluidino-3H-xanthen-9-yl]-, sodium salt(7CI);Acid leather violet R;Xanthylium,9-(2-carboxyphenyl)-3-[(2-methylphenyl)amino]-6-[(2-methyl-4-sulfophenyl)amino]-,hydroxide, inner salt, monosodium salt;C.I. 45190;C.I. Acid violet 9;Violamine R;
EINECS:	228-377-9
PSA:	140.41000
LogP:	8.55350

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Specification

The Acid violet 9, with the CAS registry number 6252-76-2, is also known as Violamine R. It belongs to the product category of Organics. Its EINECS registry number is 228-377-9. This chemical's molecular formula is C₃₄H₂₅N₂NaO₆S and molecular weight is 612.63. What's more, its IUPAC name is Sodium 4-[[9-(2-carboxyphenyl)-6-(2-methylanilino)xanthen-3-ylidene]amino]-3-methylbenzenesulfonate.

Physical properties about Acid violet 9 are: (1)ACD/LogP: 6.03; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 1.82; (5)ACD/BCF (pH 5.5): 7.58; (6)ACD/BCF (pH 7.4): 1.39; (7)ACD/KOC (pH 5.5): 15.3; (8)ACD/KOC (pH 7.4): 2.8; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 113.88 Å².

You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].[O-]S(=O)(=O)c6ccc(\N=C2/C=C\C1=C(\c3c(O/C1=C2)cc(cc3)Nc4ccccc4C)c5ccccc5C(=O)O)c(c6)C
(2) InChI: InChI=1/C34H26N2O6S.Na/c1-20-7-3-6-10-29(20)35-22-11-14-27-31(18-22)42-32-19-23(36-30-16-13-24(17-21(30)2)43(39,40)41)12-15-28(32)33(27)25-8-4-5-9-26(25)34(37)38;/h3-19,35H,1-2H3,(H,37,38)(H,39,40,41);/q;+1/p-1/b36-23+;
(3) InChIKey: FRCXWIMQWXXKSC-GLYCGUSFBB