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Pigment Red 2

CAS: 6041-94-7 | C23H15Cl2N3O2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 6041-94-7
Molecular Formula: C23H15Cl2N3O2
Molecular Weight: 436.2980000000001 g/mol

Names and Synonyms:

Pigment Red 2
2-Naphthalenecarboxamide, 4-[2-(2,5-dichlorophenyl)diazenyl]-3-hydroxy-N-phenyl-
C.I. Pigment Red 2
2-Naphthalenecarboxamide, 4-[(2,5-dichlorophenyl)azo]-3-hydroxy-N-phenyl-
2-Naphthanilide, 4-(2,5-dichlorophenylazo)-3-hydroxy-
4-[2-(2,5-Dichlorophenyl)diazenyl]-3-hydroxy-N-phenyl-2-naphthalenecarboxamide
C.I. 12310
Confast Red 2R
Fast Red F 2R
Flash Red R 100
Irgalite Red FBS
Irgalite Red FBX
Isol Aryl Red 2R
Kromon Red 2R
Lutetia Fast Red F 2R
Lutetia Fast Red BR
Monolite Fast Paper Red 2R
Monolite Fast Red 2R
Monolite Fast Red 2RA
Monolite Fast Red 2RV
Naftol Red RN 1533
Naphthol Red Light 10397
Permanent Red F 2R
Permanent Red FRR
Pigment Red 2R
Pigment Scarlet 2SV
Recolite Fast Red 2R
Revere Red X 2198
Sico Fast Red P 2RH
Sico Fast Red P 16R
Silopol Red R
Silosol Red RHN
Siloton Red F 2R
Syton Fast Red F 2R
Tertropigment Red PF 2R
Versal Fast Red F 2R
Pigment Scarlet 2S
Pigment Red 2
Scarlet 2S
1-(2,5-Dichlorophenylazo)-3-phenylcarbamoyl-2-naphthol
Pigment Scarlet 2STP
Unisperse Red FBN-PI
Naphthol Red 2R
Irgalite Red FBN
PR 2

Identifiers:

SMILES:
OC(=Nc1ccccc1)c1cc2ccccc2c(N=Nc2cc(Cl)ccc2Cl)c1O
InChI:
InChI=1S/C23H15Cl2N3O2/c24-15-10-11-19(25)20(13-15)27-28-21-17-9-5-4-6-14(17)12-18(22(21)29)23(30)26-16-7-2-1-3-8-16/h1-13,29H,(H,26,30)

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 436.30 g/mol Legacy Database
cas-canonical-smile O=C(NC=1C=CC=CC1)C2=CC=3C=CC=CC3C(N=NC4=CC(Cl)=CC=C4Cl)=C2O None Legacy Database
cas-inchi InChI=1S/C23H15Cl2N3O2/c24-15-10-11-19(25)20(13-15)27-28-21-17-9-5-4-6-14(17)12-18(22(21)29)23(30)26-16-7-2-1-3-8-16/h1-13,29H,(H,26,30) None Legacy Database
cas-inchi-key InChIKey=HXJSTOXKASOAQW-UHFFFAOYSA-N None Legacy Database
cas-name Pigment Red 2 None Legacy Database
LogP 7.903900000000002 RDKit

Molecular

Property Value Source
Molecular Weight 436.2980000000001 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 435.05413208 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 30 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 4 count RDKit
Hydrogen Bond Donors 2 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 4 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 4 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 77.54 Ų RDKit

Molar

Property Value Source
Molar Refractivity 121.51860000000002 RDKit

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