Direct red 81

Base Information

• Chemical Name: Direct red 81
• CAS No.: 83221-50-5
• Deprecated CAS: 12237-71-7,134092-10-7,134092-10-7
• Molecular Formula: C29H21 N5 O8 S2 . x Na
• Molecular Weight: 675.5994
• European Community (EC) Number: 220-028-9,280-228-7
• UNII: 7E49Q56PNB
• DSSTox Substance ID: DTXSID5041726
• Nikkaji Number: J1.341.158A
• Wikidata: Q27160113
• ChEMBL ID: CHEMBL3182005
• Mol file: 83221-50-5.mol

Synonyms:Benzo Fast Red 8BL;C. I. Direct Red 81;CI 28160;Direct Red 81;DR 81 stain;Sirius Red 4B;Solaminrot 4B

Chemical Property of Direct red 81

Chemical Property:

• PSA: 229.93000
• LogP: 8.67130
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 675.04704349
• Heavy Atom Count: 46
• Complexity: 1220

Purity/Quality:

99% ^*data from raw suppliers

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=CC=C(C=C4)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

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