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Molecule
Pigment Red 4
CAS: 2814-77-9 · C16H10ClN3O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2814-77-9
- Molecular Formula
- C16H10ClN3O3
- Molecular Mass
- 327.73 g/mol
Identifiers
CAS Registry Number
2814-77-9
SMILES
O=[N+]([O-])c1ccc(N=Nc2c(O)ccc3ccccc23)c(Cl)c1
InChI Key
XLTMWFMRJZDFFD-UHFFFAOYSA-N
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
Names and Synonyms
- Pigment Red 4 Common Name
- 2-Naphthalenol, 1-[2-(2-chloro-4-nitrophenyl)diazenyl]- Synonym
- C.I. Pigment Red 4 Synonym
- 2-Naphthalenol, 1-[(2-chloro-4-nitrophenyl)azo]- Synonym
- 2-Naphthol, 1-(2-chloro-4-nitrophenylazo)- Synonym
- 1-[2-(2-Chloro-4-nitrophenyl)diazenyl]-2-naphthalenol Synonym
- C.I. 12085 Synonym
- 12094 Red Synonym
- ADC Permanent Red Toner R Synonym
- American Vermilion Synonym
- Blazing Red Synonym
- Calcotone Red PR Synonym
- Carnelio Red R Synonym
- 1-(o-Chloro-p-nitrophenylazo)-2-naphthol Synonym
- Chlorparanitraniline Red Synonym
- Dainichi Permanent Red RX Synonym
- Duplex Permaton Red L 20-7022 Synonym
- Fastona Red R Synonym
- Fast Orange 3R Synonym
- Fast Orange 3RJ Synonym
- Flame Tones Synonym
- Flaming Red Synonym
- Glo-blaze Red R 152 Synonym
- Graphtol Red RL Synonym
- Irgalite Red PRR Synonym
- Isol Fast Red R Synonym
- Isol Fast Red RG Synonym
- Kromon Red R Synonym
- Latexol Red J Synonym
- Lincoln Red 1002 Synonym
- Lutetia Fast Orange 3R Synonym
- Monolite Fast Red G Synonym
- Monolite Fast Red GA Synonym
- Monolite Fast Red GF Synonym
- No. 1 Forthfast Red R Synonym
- Oralith Red Synonym
- Permanent Red F Synonym
- Permanent Red R Synonym
- Permanent Red BFR Synonym
- Permanent Red R Extra Synonym
- Permanent Red RG Extra Synonym
- Permanent Red Toner R Synonym
- Permansa Red Synonym
- Permaton Red XL 20-7015 Synonym
- Pyrotone Red Toner RA 5520 Synonym
- Red Extract R Synonym
- Rubber Red R Extra Synonym
- Segnale Light Red PRG Synonym
- Silopol Red G Synonym
- Silosol Red GN Synonym
- Siloton Red 2G Synonym
- Syton Fast Red R Synonym
- Tanager Red X 761 Synonym
- Versal Fast Red R Synonym
- Vulcafix Red J Synonym
- Vulcafor Orange R Synonym
- Vulcan Red R Synonym
- Pigment Scarlet Zh Synonym
- Pigment Red 4 Synonym
- Tiger Orange Synonym
- 1-(2-Chloro-4-nitrophenylazo)-2-naphthol Synonym
- C-Red 1 Synonym
- Red No. 228 Synonym
- Fire Red Toner Synonym
- D&C Red No. 36 Synonym
- D and C Red No. 36 Synonym
- Japan Red 228 Synonym
- Fast Red R Synonym
- Hansa Red R Synonym
- Permaton Red Synonym
- Versal Red R Synonym
- D&C Red 36 Synonym
- Puricolor Red PRE 4 Synonym
- Yingzhu R 3106 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 327.73 g/mol | CAS Common Chemistry |
| 327.7270000000001 g/mol | RDKit | |
| 327.727 g/mol | RDKit | |
| 327.724 g/mol | chempirical lib | |
| 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 |
| 83.25 Ų | chempirical lib | |
| LogP | 5.522400000000004 | RDKit |
| 5.5224 | RDKit | |
| Molar Refractivity | 87.89520000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 327.04106886 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
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MW = 327.73 g/mol. Edit any field — others recompute live.
