CAS No.8003-88-1,Acid orange 51 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	8003-88-1
Name:	Acid orange 51

Formula:	C₃₆H₂₆N₆Na₂O₁₁S₃
Molecular Weight:	860.7998
Synonyms:	Best Acid Milling Brown5R;C.I. 26550;C.I. Acid Orange 51;Covanyl Brown 5R;Erionyl Brown RXL;Eriosin Fast Brown RXL;Indacid Red 2B;Kayanol Milling Brown RX;KenanthrolBrown R;Nylomine Acid Brown C-R;Sandolan Brown N 2RL;Suminol Milling Brown5R;Telon Fast Copper Red RL;Triacid Fast Brown 5RN;Baygenal Red Brown LNZR;Acid Red Brown 5K;2-Naphthalenesulfonicacid, 5(or 8)-[[3-methyl-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo]-8(or5)-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]-, disodium salt (9CI);AcidOrange 51;
EINECS:	232-328-7
PSA:	290.20000
LogP:	12.35370

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Specification

The Acid orange 51, with the CAS registry number 8003-88-1, is also known as 2-Naphthalenesulfonic acid, 5(or 8)-((3-methyl-4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)-8(or 5)-((4-((4-nitro-2-sulfophenyl)amino)phenyl)azo)-, disodium salt. It belongs to the product category of Organics. Its EINECS registry number is 232-328-7. This chemical's molecular formula is C₃₆H₂₆N₆Na₂O₁₁S₃ and molecular weight is 860.8. What's more, both its IUPAC name and systematic name are the same which is called Disodium 8-[(E)-(3-methyl-4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]-5-[(E)-{4-[(4-nitro-2-sulfonatophenyl)amino]phenyl}diazenyl]naphthalene-2-sulfonate.

Physical properties about Acid orange 51 are: (1)ACD/LogP: 8.23; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 3.73; (4)ACD/LogD (pH 7.4): 3.73; (5)ACD/BCF (pH 5.5): 33.23; (6)ACD/BCF (pH 7.4): 33.22; (7)ACD/KOC (pH 5.5): 22.48; (8)ACD/KOC (pH 7.4): 22.48; (9)#H bond acceptors: 17; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 275.75 Å².

You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].[Na+].O=S(=O)(Oc5ccc(/N=N/c4c1cc(ccc1c(/N=N/c3ccc(Nc2ccc([N+]([O-])=O)cc2S([O-])(=O)=O)cc3)cc4)S([O-])(=O)=O)cc5C)c6ccc(cc6)C
(2) InChI: InChI=1/C36H28N6O11S3.2Na/c1-22-3-11-28(12-4-22)56(51,52)53-35-18-9-26(19-23(35)2)39-41-33-17-16-32(30-14-13-29(21-31(30)33)54(45,46)47)40-38-25-7-5-24(6-8-25)37-34-15-10-27(42(43)44)20-36(34)55(48,49)50;;/h3-21,37H,1-2H3,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2/b40-38+,41-39+;;
(3) InChIKey: HBINTOQGSKHKJI-QJQLANHKBE