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Pigment Red 112 (tech grade)

CAT: 0572-TRC-P437795-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P437795-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6535-46-2
Synonyms
2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-4-[(2,4,5-trichlorophenyl)azo]- (9CI); C.I. Pigment Red 112 (7CI,8CI); 3-Hydroxy-N-(2-methylphenyl)-4-[2-(2,4,5-trichlorophenyl)diazenyl]-2-naphthalenecarboxamide; C.I. 12370; C.I. PR 112; Colanyl Red FGRG 100; Colanyl Red FGRX; Dispers Red 38-5507; Disperse Red 38-5507; Disperse Red SDP 110T; Fast Red FGR; Flexonyl Red FGR-LA; Helio Fast Red BB; Helio Fast Red BBN; Helio Fast Red BBT; Hostafine Red FGR; Irgalite Red 3RS; Isol Aryl Red GR; KET Red 304; Luconyl Red 3855; Naphthol Red FGR; Oriental Fast Red GR; PR 112; Permanent Red FGR; Permanent Red FGR 02; Permanent Red FGR 70; Permanent Red GY; Permanent Red L; Pigment Red 112; Renol Red FGR-HW; Sanyo Permanent Red 1206; Sanyo Permanent Red FN; Sanyo Permanent Red FNG; Segnale Light Red FGR; Sico Fast Red L 3855; SicoFast Red 3855; Special Red FGR; Unisperse Red 3RS-E2; Unisperse Red 3RS-P; Xfast Red 3855
Hazard Statement
May cause an allergic skin reaction
Smiles
Cc1ccccc1NC(=O)c2cc3ccccc3c(N=Nc4cc(Cl)c(Cl)cc4Cl)c2O
Molecular Formula
C24 H16 Cl3 N3 O2
Molecular Weight
484.76
InChI
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)
Additionnal Information
IUPAC name: 3-hydroxy-N-(2-methylphenyl)-4-[(E)-(2,4,5-trichlorophenyl)diazenyl]naphthalene-2-carboxamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Pigment Red 112
CAS Number6535-46-2
PubChem CID23034
IUPAC Name3-hydroxy-N-(2-methylphenyl)-4-[(2,4,5-trichlorophenyl)diazenyl]naphthalene-2-carboxamide
Molecular FormulaC24H16Cl3N3O2
Molecular Weight484.8
XLogP8.2
Topological Polar Surface Area74.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity681
SMILES
CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC(=C(C=C4Cl)Cl)Cl
InChI
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)
InChIKey
JQNJCQYNSLCFAC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pigment Red 112
CAS: 6535-46-2
CID: 23034
Formula: C24H16Cl3N3O2
MW: 484.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.8
XLogP38.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass483.030810
Monoisotopic Mass483.030810
Topological Polar Surface Area74.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity681
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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