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General information

Inventory

EC number:
226-789-3
EC name:
2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methylphenyl)-3-oxobutyramide]
CAS number:
5468-75-7

No inventory information available

Reference substance information

IUPAC name:
2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[N-(2-methylphenyl)-3-oxobutanamide]
Synonyms
Names:
Benzidine Yellow OTC.I. Pigment Yellow 14
Butanamide, 2,2'-[(3,3'-dichloro[1,1'- biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methylphenyl )-3-oxo-
Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methylphenyl)-3-oxo-
C.I. Pigment Yellow 14
Identifier:
IUPAC name
2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[N-(2-methylphenyl)-3-oxobutanamide]
Identifier:
IUPAC name
2-[(E)-2-(2-chloro-4-{3-chloro-4-[(E)-2-{1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl]phenyl}phenyl)diazen-1-yl]-N-(2-methylphenyl)-3-oxobutanamide
Identifier:
other: SMILES notation
CC(=O)C(\N=N\c1ccc(cc1Cl)-c1ccc(\N=N\C(C(C)=O)C(=O)Nc2ccccc2C)c(Cl)c1)C(=O)Nc1ccccc1C
Identifier:
other: InChl
InChI=1S/C34H30Cl2N6O4/c1-19-9-5-7-11-27(19)37-33(45)31(21(3)43)41-39-29-15-13-23(17-25(29)35)24-14-16-30(26(36)18-24)40-42-32(22(4)44)34(46)38-28-12-8-6-10-20(28)2/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46)/b41-39+,42-40+

CAS information

CAS number:
5468-75-7

Molecular and structural information

Molecular formula:
C34H30Cl2N6O4
Molecular weight:
657.546
SMILES notation:
Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccccc1C)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3C)c(Cl)c4
InChl:
InChI=1/C34H30Cl2N6O4/c1-19-9-5-7-11-27(19)37-33(45)31(21(3)43)41-39-29-15-13-23(17-25(29)35)24-14-16-30(26(36)18-24)40-42-32(22(4)44)34(46)38-28-12-8-6-10-20(28)2/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46)
Structural formula:
Chemical structure