C.I. Reactive Orange 4

Base Information

• Chemical Name: C.I. Reactive Orange 4
• CAS No.: 70616-90-9
• Deprecated CAS: 12225-82-0
• Molecular Formula: C24H16 Cl2 N6 O10 S3 . 3 Na
• Molecular Weight: 781.46453
• European Community (EC) Number: 274-701-7,602-402-7
• DSSTox Substance ID: DTXSID4072079
• Mol file: 70616-90-9.mol

Synonyms:C.I. Reactive Orange 4;Reactive Orange 4;70616-90-9;12225-82-0;trisodium;2-[[6-[(4,6-dichloro-1,3,5-triazin-2-yl)-methylamino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]naphthalene-1,5-disulfonate;EINECS 274-701-7;DTXSID4072079;1,5-Naphthalenedisulfonic acid, 2-((6-((4,6-dichloro-1,3,5-triazin-2-yl)methylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-, trisodium salt;1,5-Naphthalenedisulfonic acid, 2-(2-(6-((4,6-dichloro-1,3,5-triazin-2-yl)methylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3);2-((6-((4,6-Dichloro-1,3,5-triazin-2-yl)methylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-1,5-naphthalenedisulfonic acid, trisodium salt;W-111424;Trisodium 2-((6-((4,6-dichloro-1,3,5-triazin-2-yl)methylamino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)naphthalene-1,5-disulphonate;2-[(2E)-2-[6-[(4,6-dichloro-1,3,5-triazin-2-yl)-methylamino]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]naphthalene-1,5-disulfonate

Chemical Property of C.I. Reactive Orange 4

Chemical Property:

• PSA: 283.60000
• LogP: 7.32840
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 4
• Exact Mass: 779.8925424
• Heavy Atom Count: 48
• Complexity: 1380

Purity/Quality:

98%,99%, ^*data from raw suppliers

REACTIVE ORANGE 4 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1=CC2=CC(=C(C(=C2C=C1)O)N=NC3=C(C4=C(C=C3)C(=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C5=NC(=NC(=N5)Cl)Cl.[Na+].[Na+].[Na+]