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Pigment Red 4
CAS: 2814-77-9 | C16H10ClN3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2814-77-9
Molecular Formula:
C16H10ClN3O3
Molecular Weight:
327.7270000000001 g/mol
Names and Synonyms:
Pigment Red 4
Common Name
Carnelio Red R
Synonym
1-(o-Chloro-p-nitrophenylazo)-2-naphthol
Synonym
Yingzhu R 3106
Synonym
Puricolor Red PRE 4
Synonym
D&C Red 36
Synonym
Versal Red R
Synonym
Permaton Red
Synonym
Hansa Red R
Synonym
Fast Red R
Synonym
Japan Red 228
Synonym
D and C Red No. 36
Synonym
D&C Red No. 36
Synonym
Fire Red Toner
Synonym
Red No. 228
Synonym
C-Red 1
Synonym
1-(2-Chloro-4-nitrophenylazo)-2-naphthol
Synonym
Tiger Orange
Synonym
Pigment Red 4
Synonym
Pigment Scarlet Zh
Synonym
Vulcan Red R
Synonym
Vulcafor Orange R
Synonym
Vulcafix Red J
Synonym
Versal Fast Red R
Synonym
Tanager Red X 761
Synonym
Syton Fast Red R
Synonym
Siloton Red 2G
Synonym
Silosol Red GN
Synonym
Silopol Red G
Synonym
Segnale Light Red PRG
Synonym
Rubber Red R Extra
Synonym
Red Extract R
Synonym
Pyrotone Red Toner RA 5520
Synonym
Permaton Red XL 20-7015
Synonym
Permansa Red
Synonym
Permanent Red Toner R
Synonym
Permanent Red RG Extra
Synonym
Permanent Red R Extra
Synonym
Permanent Red BFR
Synonym
Permanent Red R
Synonym
Permanent Red F
Synonym
Oralith Red
Synonym
No. 1 Forthfast Red R
Synonym
Monolite Fast Red GF
Synonym
Monolite Fast Red GA
Synonym
Monolite Fast Red G
Synonym
Lutetia Fast Orange 3R
Synonym
Lincoln Red 1002
Synonym
Latexol Red J
Synonym
Kromon Red R
Synonym
Isol Fast Red RG
Synonym
Isol Fast Red R
Synonym
Irgalite Red PRR
Synonym
Graphtol Red RL
Synonym
Glo-blaze Red R 152
Synonym
Flaming Red
Synonym
Flame Tones
Synonym
Fast Orange 3RJ
Synonym
Fast Orange 3R
Synonym
Fastona Red R
Synonym
Duplex Permaton Red L 20-7022
Synonym
Dainichi Permanent Red RX
Synonym
Chlorparanitraniline Red
Synonym
Calcotone Red PR
Synonym
Blazing Red
Synonym
American Vermilion
Synonym
ADC Permanent Red Toner R
Synonym
12094 Red
Synonym
C.I. 12085
Synonym
1-[2-(2-Chloro-4-nitrophenyl)diazenyl]-2-naphthalenol
Synonym
2-Naphthol, 1-(2-chloro-4-nitrophenylazo)-
Synonym
2-Naphthalenol, 1-[(2-chloro-4-nitrophenyl)azo]-
Synonym
C.I. Pigment Red 4
Synonym
2-Naphthalenol, 1-[2-(2-chloro-4-nitrophenyl)diazenyl]-
Synonym
Identifiers:
SMILES:
O=[N+]([O-])c1ccc(N=Nc2c(O)ccc3ccccc23)c(Cl)c1
InChI:
InChI=1S/C16H10ClN3O3/c17-13-9-11(20(22)23)6-7-14(13)18-19-16-12-4-2-1-3-10(12)5-8-15(16)21/h1-9,21H
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 | 327.73 g/mol | Legacy Database |
| cas-canonical-smile | O=N(=O)C1=CC=C(N=NC2=C(O)C=CC=3C=CC=CC32)C(Cl)=C1 None | Legacy Database |
| cas-inchi | InChI=1S/C16H10ClN3O3/c17-13-9-11(20(22)23)6-7-14(13)18-19-16-12-4-2-1-3-10(12)5-8-15(16)21/h1-9,21H None | Legacy Database |
| cas-inchi-key | InChIKey=XLTMWFMRJZDFFD-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Pigment Red 4 None | Legacy Database |
| LogP | 5.522400000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 327.7270000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 327.04106886 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 23 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 3 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 88.09 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 87.89520000000003 | RDKit |