CAS No.79809-27-1,Reactive orange 122 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	79809-27-1
Name:	Reactive orange 122

Formula:	C₃₁H₂₀ClN₇O₁₆S₅^.₄Na
Molecular Weight:	1034.25
Synonyms:	1,5-Naphthalenedisulfonicacid,2-[[6-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-,tetrasodium salt (9CI);
Density:	0.578g/cm3 at 20℃
PSA:	418.26000
LogP:	7.39760

Total:33 Page 1 of 1 1

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Chemistry

Molecular structure of Reactive Orange 122 (CAS NO.79809-27-1) is:

Product Name: Reactive Orange 122
CAS Registry Number: 79809-27-1
IUPAC Name: Tetrasodium 2-[2-[6-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]naphthalene-1,5-disulfonate
Molecular Weight: 1034.26488 [g/mol]
Molecular Formula: C₃₁H₂₀ClN₇Na₄O₁₆S₅
H-Bond Donor: 3
H-Bond Acceptor: 23
Classification Code: TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]
Canonical SMILES: C1=CC2=C(C=CC(=C2S(=O)(=O)[O-])NN=C3C(=CC4=C(C3=O)C=CC(=C4)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)CCOS(=O)(=O)[O-])Cl)S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI: InChI=1S/C31H24ClN7O16S5.4Na/c32-29-35-30(33-17-4-7-19(8-5-17)56(41,42)13-12-55-60(52,53)54)37-31(36-29)34-18-6-9-20-16(14-18)15-25(58(46,47)48)26(27(20)40)39-38-23-11-10-21-22(28(23)59(49,50)51)2-1-3-24(21)57(43,44)45;;;;/h1-11,14-15,38H,12-13H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H2,33,34,35,36,37);;;;/q;4*+1/p-4
InChIKey: QSZRADFQQFXYFL-UHFFFAOYSA-J

Specification

Reactive Orange 122 , its cas register number is 79809-27-1. It also can be called 2-[[6-[[4-Chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-1,5-naphthalenedisulfonic acid tetrasodium salt ; 1,5-Naphthalenedisulfonicacid,2-[2-[6-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-,sodium salt (1:4) .