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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 Mass:
327.73 g/mol
Names and Synonyms:
Pigment Red 4
2-Naphthalenol, 1-[2-(2-chloro-4-nitrophenyl)diazenyl]-
C.I. Pigment Red 4
2-Naphthalenol, 1-[(2-chloro-4-nitrophenyl)azo]-
2-Naphthol, 1-(2-chloro-4-nitrophenylazo)-
1-[2-(2-Chloro-4-nitrophenyl)diazenyl]-2-naphthalenol
C.I. 12085
12094 Red
ADC Permanent Red Toner R
American Vermilion
Blazing Red
Calcotone Red PR
Carnelio Red R
1-(o-Chloro-p-nitrophenylazo)-2-naphthol
Chlorparanitraniline Red
Dainichi Permanent Red RX
Duplex Permaton Red L 20-7022
Fastona Red R
Fast Orange 3R
Fast Orange 3RJ
Flame Tones
Flaming Red
Glo-blaze Red R 152
Graphtol Red RL
Irgalite Red PRR
Isol Fast Red R
Isol Fast Red RG
Kromon Red R
Latexol Red J
Lincoln Red 1002
Lutetia Fast Orange 3R
Monolite Fast Red G
Monolite Fast Red GA
Monolite Fast Red GF
No. 1 Forthfast Red R
Oralith Red
Permanent Red F
Permanent Red R
Permanent Red BFR
Permanent Red R Extra
Permanent Red RG Extra
Permanent Red Toner R
Permansa Red
Permaton Red XL 20-7015
Pyrotone Red Toner RA 5520
Red Extract R
Rubber Red R Extra
Segnale Light Red PRG
Silopol Red G
Silosol Red GN
Siloton Red 2G
Syton Fast Red R
Tanager Red X 761
Versal Fast Red R
Vulcafix Red J
Vulcafor Orange R
Vulcan Red R
Pigment Scarlet Zh
Pigment Red 4
Tiger Orange
1-(2-Chloro-4-nitrophenylazo)-2-naphthol
C-Red 1
Red No. 228
Fire Red Toner
D&C Red No. 36
D and C Red No. 36
Japan Red 228
Fast Red R
Hansa Red R
Permaton Red
Versal Red R
D&C Red 36
Puricolor Red PRE 4
Yingzhu R 3106
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 327.73 g/mol | CAS Common Chemistry |
| 327.7270000000001 g/mol | RDKit | |
| 327.04106886 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC=C(N=NC2=C(O)C=CC=3C=CC=CC32)C(Cl)=C1 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=XLTMWFMRJZDFFD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pigment Red 4 | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 88.09 Ų | RDKit |
| LogP | 5.522400000000004 | RDKit |
| Molar Refractivity | 87.89520000000003 | RDKit |
