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Reference substances

Reference substances

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General information

Inventory

EC number:
228-787-8
EC name:
2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-N-phenylbutyramide]
CAS number:
6358-85-6

No inventory information available

Reference substance information

IUPAC name:
2-[2-(3,3'-dichloro-4'-{2-[2-oxo-1-(phenylcarbamoyl)propyl]diazen-1-yl}-[1,1'-biphenyl]-4-yl)diazen-1-yl]-3-oxo-N-phenylbutanamide
Synonyms
Names:
2,2'-[(3,3'-DICHLORO-(1,1'-BIPHENYL-4,4'-DIYL)BIS(AZO)]BIS(3-OXO-N-PHENYLBUTYRAMIDE)
2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(3-oxo-N-phenylbutanamide)
Acetoacetanilide, 2,2''-(3,3'-dichloro-4,4'-biphenylylenebisazo)bis-
Butanamide, 2,2'-[(3,3'-dichloro[1,1'- biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-N-phenyl-
Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-N-phenyl-
C.I. Pigment Yellow 12
Identifier:
CAS number
6358-85-6
Identifier:
IUPAC name
2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(3-oxo-N-phenylbutanamide); C. I. Pigment Yellow 12
Identifier:
IUPAC name
2-[[2-chloro-4-[3-chloro-4-[[2-oxo-1-(phenylcarbamoyl)propyl]azo]phenyl]phenyl]azo]-3-oxo-N-phenyl-butanamide
Identifier:
IUPAC name
2-{2-[2-chloro-4-(3-chloro-4-{2-[2-oxo-1-(phenylcarbamoyl)propyl]diazen-1-yl}phenyl)phenyl]diazen-1-yl}-3-oxo-N-phenylbutanamide
Identifier:
Colour Index
C.I. Pigment Yellow 12
Identifier:
other: InChl
1/C32H26Cl2N6O4/c1-19(41)29(31(43)35-23-9-5-3-6-10-23)39-37-27-15-13-21(17-25(27)33)22-14-16-28(26(34)18-22)38-40-30(20(2)42)32(44)36-24-11-7-4-8-12-24/h3-18,29-30H,1-2H3,(H,35,43)(H,36,44)
Identifier:
other: InChl
1S/C32H26Cl2N6O4/c1-19(41)29(31(43)35-23-9-5-3-6-10-23)39-37-27-15-13-21(17-25(27)33)22-14-16-28(26(34)18-22)38-40-30(20(2)42)32(44)36-24-11-7-4-8-12-24/h3-18,29-30H,1-2H3,(H,35,43)(H,36,44)/b39-37+,40-38+
Identifier:
other: SMILES notation
CC(=O)C(/N=N/c1c(cc(cc1)c2cc(c(cc2)/N=N/C(C(=O)Nc3ccccc3)C(=O)C)Cl)Cl)C(=O)Nc4ccccc4
Identifier:
other: InChl
InChI=1S/C32H26Cl2N6O4/c1-19(41)29(31(43)35-23-9-5-3-6-10-23)39-37-27-15-13-21(17-25(27)33)22-14-16-28(26(34)18-22)38-40-30(20(2)42)32(44)36-24-11-7-4-8-12-24/h3-18,29-30H,1-2H3,(H,35,43)(H,36,44)/b39-37+,40-38+
Identifier:
other: SMILES notation
O=C(Nc1ccccc1)C(N=Nc1c(cc(c2ccc(N=NC(C(=O)C)C(=O)Nc3ccccc3)c(c2)Cl)cc1)Cl)C(=O)C
2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(3-oxo-N-phenylbutanamide)

CAS information

CAS number:
6358-85-6

Molecular and structural information

Molecular formula:
C32H26Cl2N6O4
Molecular weight:
629.493
SMILES notation:
Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccccc1)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3)c(Cl)c4
InChl:
InChI=1/C32H26Cl2N6O4/c1-19(41)29(31(43)35-23-9-5-3-6-10-23)39-37-27-15-13-21(17-25(27)33)22-14-16-28(26(34)18-22)38-40-30(20(2)42)32(44)36-24-11-7-4-8-12-24/h3-18,29-30H,1-2H3,(H,35,43)(H,36,44)
Structural formula:
Chemical structure