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Reference substances

Reference substances

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General information

Inventory

EC number:
229-440-3
EC name:
3-hydroxy-N-(o-tolyl)-4-[(2,4,5-trichlorophenyl)azo]naphthalene-2-carboxamide
CAS number:
6535-46-2

No inventory information available

Reference substance information

IUPAC name:
3-hydroxy-N-(2-methylphenyl)-4-[(E)-2-(2,4,5-trichlorophenyl)diazen-1-yl]naphthalene-2-carboxamide
Synonyms
Names:
2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl) -4-[(2,4,5-trichlorophenyl)azo]-
2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-4- (2,4,5-trichlorophenyl)azo -
2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-4-[(2,4,5-trichlorophenyl)azo]-
C.I. Pigment Red 112
Identifier:
CAS number
6535-46-2
Identifier:
IUPAC name
3-hydroxy-N-(2-methylphenyl)-4-[(E)-2-(2,4,5-trichlorophenyl)diazen-1-yl]naphthalene-2carboxamide
Identifier:
IUPAC name
3-hydroxy-N-(o-tolyl)-4-[(2,4,5-trichlorophenyl)azo]naphthalene-2-carboxamide
Identifier:
other: InChl
1S/C24H16Cl3N3O2/c1-13-6-2-5-9-20(13)28-24(32)16-10-14-7-3-4-8-15(14)22(23(16)31)30-29-21-12-18(26)17(25)11-19(21)27/h2-12,31H,1H3,(H,28,32)/b30-29+
Identifier:
other: SMILES notation
CC1=C(NC(=O)C2=CC3=C(C=CC=C3)C(\N=N\C3=CC(Cl)=C(Cl)C=C3Cl)=C2O)C=CC=C1
Identifier:
other: SMILES notation
Cc1ccccc1NC(=O)c2cc3ccccc3c(c2O)/N=N/c4cc(c(cc4Cl)Cl)Cl
Identifier:
other: InChl
InChI=1S/C24H16Cl3N3O2/c1-13-6-2-5-9-20(13)28-24(32)16-10-14-7-3-4-8-15(14)22(23(16)31)30-29-21-12-18(26)17(25)11-19(21)27/h2-12,31H,1H3,(H,28,32)/b30-29+
3-hydroxy-N-(2-methylphenyl)-4-[(2,4,5-trichlorophenyl)diazenyl]-2-naphthamide

CAS information

CAS number:
6535-46-2

Molecular and structural information

Molecular formula:
C24H16Cl3N3O2
Molecular weight:
484.762
SMILES notation:
Clc4cc(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1C)c2O)c(Cl)cc4Cl
InChl:
InChI=1/C24H16Cl3N3O2/c1-13-6-2-5-9-20(13)28-24(32)16-10-14-7-3-4-8-15(14)22(23(16)31)30-29-21-12-18(26)17(25)11-19(21)27/h2-12,31H,1H3,(H,28,32)
Structural formula:
Chemical structure