Pigment Orange 31 (C.I. 20050)
[CAS# 12286-58-7]

Identification

• Name: Pigment Orange 31 (C.I. 20050)
• Synonyms: (4E)-N-[2-Chloro-4-[3-Chloro-4-[[(4Z)-4-[(2-Chlorophenyl)Hydrazono]-3-Oxo-Naphthalene-2-Carbonyl]Amino]Phenyl]Phenyl]-4-[(2-Chlorophenyl)Hydrazono]-3-Oxo-Naphthalene-2-Carboxamide; (4E)-N-[2-Chloro-4-[3-Chloro-4-[[[(4Z)-4-[(2-Chlorophenyl)Hydrazono]-3-Oxo-2-Naphthyl]-Oxomethyl]Amino]Phenyl]Phenyl]-4-[(2-Chlorophenyl)Hydrazono]-3-Oxo-2-Naphthalenecarboxamide; (4E)-N-[2-Chloro-4-[3-Chloro-4-[[(4Z)-4-[(2-Chlorophenyl)Hydrazono]-3-Keto-Naphthalene-2-Carbonyl]Amino]Phenyl]Phenyl]-4-[(2-Chlorophenyl)Hydrazono]-3-Keto-2-Naphthamide
• Molecular Formula: C₄₆H₂₈Cl₄N₆O₄
• Molecular Weight: 870.58
• CAS Registry Number: 12286-58-7 (5280-74-0)
• SMILES: C1=C2C(=CC=C1)C=C(C(=O)\C2=N/NC3=CC=CC=C3Cl)C(=O)NC8=C(Cl)C=C(C7=CC(=C(NC(=O)C6=CC4=CC=CC=C4C(=N/NC5=CC=CC=C5Cl)\C6=O)C=C7)Cl)C=C8
• InChI: 1S/C46H28Cl4N6O4/c47-33-13-5-7-15-39(33)53-55-41-29-11-3-1-9-27(29)21-31(43(41)57)45(59)51-37-19-17-25(23-35(37)49)26-18-20-38(36(50)24-26)52-46(60)32-22-28-10-2-4-12-30(28)42(44(32)58)56-54-40-16-8-6-14-34(40)48/h1-24,53-54H,(H,51,59)(H,52,60)/b55-41-,56-42+
• InChIKey: BCPZHLWOVBNWPV-CGYDCTMOSA-N

Properties

• Density: 1.458g/cm³ (Cal.)