CAS No.12226-45-8,Reactive Yellow 4 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	12226-45-8
Name:	Reactive Yellow 4

Formula:	C₂₀H₁₂Cl₂N₆Na₂O₆S₂
Molecular Weight:	613.36
Synonyms:	1,5-Naphthalenedisulfonicacid, 3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-methylphenyl]azo]-,disodium salt (9CI);1,5-Naphthalenedisulfonic acid,3-[[4-[(4,6-dichloro-s-triazin-2-yl)amino]-o-tolyl]azo]-, disodium salt(7CI,8CI);Active Golden Yellow KKh;C.I. Reactive Yellow 4;Mikacion YellowRS;Procion Yellow 11X-R;Procion Yellow M-R;Procion Yellow MX-R;ProcionYellow RS;Reactive Golden Yellow KKh;Reactive Yellow X-R;Reactive Yellow X-RG;
EINECS:	235-435-7
PSA:	200.92000
LogP:	7.52700

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Specification

The 1,5-Naphthalenedisulfonicacid,3-[2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-methylphenyl]diazenyl]-,sodium salt (1:2), with the CAS registry number 12226-45-8 and EINECS registry number 235-435-7, has the systematic name of disodium 3-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-methyl-phenyl]azonaphthalene-1,5-disulfonate. And the molecular formula of the chemical is C₂₀H₁₂Cl₂N₆Na₂O₆S₂.

The characteristics of 1,5-Naphthalenedisulfonicacid,3-[2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-methylphenyl]diazenyl]-,sodium salt (1:2) are as followings: (1)H-Bond Donor: 1; (2)H-Bond Acceptor: 12; (3)Rotatable Bond Count: 4; (4)Tautomer Count: 4; (5)Exact Mass: 611.943218; (6)MonoIsotopic Mass: 611.943218; (7)Topological Polar Surface Area: 207; (8)Heavy Atom Count: 38; (9)Formal Charge: 0; (10)Complexity: 973; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter: Count 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 3.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Na+].[Na+].Clc4nc(Nc3cc(C)c(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)cc3)nc(Cl)n4
(2)InChI: InChI=1/C20H14Cl2N6O6S2.2Na/c1-10-7-11(23-20-25-18(21)24-19(22)26-20)5-6-15(10)28-27-12-8-14-13(17(9-12)36(32,33)34)3-2-4-16(14)35(29,30)31;;/h2-9H,1H3,(H,29,30,31)(H,32,33,34)(H,23,24,25,26);;/q;2*+1/p-2
(3)InChIKey: BMAUDWDYKLUBPY-NUQVWONBAT