chempirical

Pigment red 12

C25H20N4O4CAS 6410-32-8440.46 g/mol

Open in Covalent MOL file
N+OO−NNHOONH
AzoNitroPhenol

Properties

Molecular formula
C25H20N4O4
Molar mass
440.46 g/mol
Exact mass
440.1485 Da
logP
7.12Crippen estimate
Polar surface area
120.7 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
5

Hazards

Not classified as hazardous under GHS by 94 ECHA notifiers. Aggregated from 94 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
6410-32-8
SMILES
Cc1cc([N+](=O)[O-])ccc1N=Nc1c(O)c(C(O)=Nc2ccccc2C)cc2ccccc12
InChIKey
KDLDNQQRGJAGIS-UHFFFAOYSA-N
InChI
InChI=1S/C25H20N4O4/c1-15-7-3-6-10-21(15)26-25(31)20-14-17-8-4-5-9-19(17)23(24(20)30)28-27-22-12-11-18(29(32)33)13-16(22)2/h3-14,30H,1-2H3,(H,26,31)

Weigh it out

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Names and synonyms

28 names · show all
  • 2-Naphthalenecarboxamide, 3-hydroxy-4-[2-(2-methyl-4-nitrophenyl)diazenyl]-N-(2-methylphenyl)-
  • C.I. Pigment red 12
  • 2-Naphthalenecarboxamide, 3-hydroxy-4-[(2-methyl-4-nitrophenyl)azo]-N-(2-methylphenyl)-
  • 3-Hydroxy-4-[2-(2-methyl-4-nitrophenyl)diazenyl]-N-(2-methylphenyl)-2-naphthalenecarboxamide
  • C.I. 12385
  • Confast bordeaux 2R
  • Eljon fast bordeaux 2R
  • Fast bordeaux F 2R
  • Irgalite bordeaux F 2R
  • Kromon bordeaux 2R
  • Monolite fast bordeaux 2R
  • Monolite fast bordeaux 2RA
  • Permanent bordeaux F 2R
  • Permanent bordeaux FRR
  • Pigment bordeaux F 2R
  • Pigment bordeaux 2R
  • Recolite fast bordeaux 2R
  • Sanyo toluidine maroon light no. 1
  • Segnale light bordeaux F 2R
  • Sico bordeaux P 2
  • Siloton bordeaux F 2R
  • Syton fast bordeaux F 2R
  • Pigment bordeaux K
  • Bordeaux K
  • Bordeau K
  • Naphthol bordeaux FRR
  • Bordeaux F 2R
  • 3-Hydroxy-4-((2-methyl-4-nitrophenyl)azo)-N-(o-tolyl)naphthalene-2-carboxamide

Work with Pigment red 12

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pigment red 226448-95-976 % similar Pigment red 1126535-46-263 % similar N-(2,4-Dimethylphenyl)-3-hydroxy-4-[2-(2-hydroxyphenyl)diazenyl]-2-naphthalenecarboxamide523-67-162 % similar Pigment red 236471-49-460 % similar Pigment red 86410-30-657 % similar 4-((5-(Anilino)carbonyl-2-methoxyphenyl)azo)-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide6448-96-054 % similar 4-[2-(2-Chlorophenyl)diazenyl]-3-hydroxy-N-phenyl-2-naphthalenecarboxamide6410-26-049 % similar Fast orange3468-63-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Hydroxy-4-((4-methyl-2-nitrophenyl)azo)-N-(o-tolyl)naphthalene-2-carboxamide6535-47-3

Elsewhere

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