C9519

Calcomine Orange 2RS

• Synonym(s): Direct Orange 102
• Linear Formula: C₃₄H₂₁N₆O₁₁S₂Na₃
• CAS Number: 6598-63-6
• Molecular Weight: 822.66
• Colour Index Number: 29156
• EC Number: 229-539-1
• MDL number: MFCD00010252
• UNSPSC Code: 12171500
• PubChem Substance ID: 24893164

Properties

• form: powder
• composition: Dye content, ~40%
• SMILES string: Oc1c(N=Nc2ccccc2)c(cc3cc(NC(=O)Nc4ccc5c(O)c(N=Nc6ccc(cc6)C(=O)O[Na])c(cc5c4)S(=O)(=O)O[Na])ccc13)S(=O)(=O)O[Na]
• InChI: 1S/C34H24N6O11S2.3Na/c41-31-25-12-10-23(14-19(25)16-27(52(46,47)48)29(31)39-37-21-4-2-1-3-5-21)35-34(45)36-24-11-13-26-20(15-24)17-28(53(49,50)51)30(32(26)42)40-38-22-8-6-18(7-9-22)33(43)44;;;/h1-17,41-42H,(H,43,44)(H2,35,36,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3/b39-37+,40-38+;;;
• InChI key: NEXGZHJENSOMLV-WFQXTUNASA-K

Safety Information

• Storage Class Code: 13 - Non Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable