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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
Synonym
2-Naphthalenecarboxamide, 4-[2-(2,5-dichlorophenyl)diazenyl]-3-hydroxy-N-phenyl-
Synonym
C.I. Pigment Red 2
Synonym
2-Naphthalenecarboxamide, 4-[(2,5-dichlorophenyl)azo]-3-hydroxy-N-phenyl-
Synonym
2-Naphthanilide, 4-(2,5-dichlorophenylazo)-3-hydroxy-
Synonym
4-[2-(2,5-Dichlorophenyl)diazenyl]-3-hydroxy-N-phenyl-2-naphthalenecarboxamide
Synonym
C.I. 12310
Synonym
Confast Red 2R
Synonym
Fast Red F 2R
Synonym
Flash Red R 100
Synonym
Irgalite Red FBS
Synonym
Irgalite Red FBX
Synonym
Isol Aryl Red 2R
Synonym
Kromon Red 2R
Synonym
Lutetia Fast Red F 2R
Synonym
Lutetia Fast Red BR
Synonym
Monolite Fast Paper Red 2R
Synonym
Monolite Fast Red 2R
Synonym
Monolite Fast Red 2RA
Synonym
Monolite Fast Red 2RV
Synonym
Naftol Red RN 1533
Synonym
Naphthol Red Light 10397
Synonym
Permanent Red F 2R
Synonym
Permanent Red FRR
Synonym
Pigment Red 2R
Synonym
Pigment Scarlet 2SV
Synonym
Recolite Fast Red 2R
Synonym
Revere Red X 2198
Synonym
Sico Fast Red P 2RH
Synonym
Sico Fast Red P 16R
Synonym
Silopol Red R
Synonym
Silosol Red RHN
Synonym
Siloton Red F 2R
Synonym
Syton Fast Red F 2R
Synonym
Tertropigment Red PF 2R
Synonym
Versal Fast Red F 2R
Synonym
Pigment Scarlet 2S
Synonym
Pigment Red 2
Synonym
Scarlet 2S
Synonym
1-(2,5-Dichlorophenylazo)-3-phenylcarbamoyl-2-naphthol
Synonym
Pigment Scarlet 2STP
Synonym
Unisperse Red FBN-PI
Synonym
Naphthol Red 2R
Synonym
Irgalite Red FBN
Synonym
PR 2
Synonym
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
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 7.903900000000002 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 121.51860000000002 | RDKit |