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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.
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 |
