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Fast Orange
CAS: 3468-63-1 | C16H10N4O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3468-63-1
Molecular Formula:
C16H10N4O5
Molecular Weight:
338.2790000000001 g/mol
Names and Synonyms:
Fast Orange
Pigment organge 5
Permanent Orange RN
Monolite Orange 200504
P 0587
2-Naphthalenol, 1-[2-(2,4-dinitrophenyl)diazenyl]-
C.I. Pigment Orange 5
2-Naphthalenol, 1-[(2,4-dinitrophenyl)azo]-
2-Naphthol, 1-(2,4-dinitrophenylazo)-
1-[2-(2,4-Dinitrophenyl)diazenyl]-2-naphthalenol
C.I. 12075
Brilliant Tangerine 13030
Calcotone Orange 2R
Carnelio Red 2G
Chromatex Orange R
Dainichi Permanent Red GG
Dinitroaniline Orange ND 204
Dinitroaniline Red
1-(2,4-Dinitrophenylazo)-2-naphthol
Fastona Red 2G
Graphtol Red 2GL
Hansa Orange RN
Helio Fast Orange 3RN
Helio Fast Orange 3RT
Helio Fast Orange RN
Helio Fast Orange RT
Irgalite Fast Red 2GL
Irgalite Red 2G
Irgalite Red 2GW
Irgalite Red PV8
Isol Fast Red 2G
Lake Red 2GL
Light Orange R
Lutetia Fast Orange R
Monolite Fast Orange 2R
Monolite Fast Paper Orange 2R
Monolite Fast Red 2G
Nippon Orange X 881
Oralith Red 2GL
11048 Orange
Orange Pigment X
Permanent Orange DN Toner
Permanent Orange GG
Permanent Orange HD
Permanent Orange Toner RA 5650
Permanent Red GG
Permansa Orange
Permaton Orange XL 45-3015
Segnale Light Orange RN
Segnale Light Orange RNG
Siegle Orange 2S
Signal Orange Y 17
Silopol Orange R
Silosol Orange RN
Siloton Orange RL
Syton Fast Red 2G
Tertropigment Orange LRN
Tertropigment Red P2G
Versal Orange RNL
Pigment Orange 5
D and C Orange No. 17
Orange No. 203
Permanent Orange
Dinitraniline orange
Pigment Fast Orange
Dinitroaniline Orange
Permanent Orange Toner
Japan Orange 203
Japan Orange No. 203
Permaton Orange
Fast Orange
Pigment Orange Fast VCO
Pigment Fast Orange VCO
Dutch Vermilion
EB Orange R 7305
Sico Orange L 3051
Lutetia Orange RN
Seikafast Orange 3044
Hansa Red GG
NSC 15975
Monolite Red 2G
D&C Orange No. 17
Identifiers:
SMILES:
O=[N+]([O-])c1ccc(N=Nc2c(O)ccc3ccccc23)c([N+](=O)[O-])c1
InChI:
InChI=1S/C16H10N4O5/c21-15-8-5-10-3-1-2-4-12(10)16(15)18-17-13-7-6-11(19(22)23)9-14(13)20(24)25/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 |
|---|---|---|
| LogP | 4.777200000000002 | RDKit |
| molecular_mass | 338.28 g/mol | Legacy Database |
| cas-canonical-smile | O=N(=O)C1=CC=C(N=NC2=C(O)C=CC=3C=CC=CC32)C(=C1)N(=O)=O None | Legacy Database |
| cas-inchi | InChI=1S/C16H10N4O5/c21-15-8-5-10-3-1-2-4-12(10)16(15)18-17-13-7-6-11(19(22)23)9-14(13)20(24)25/h1-9,21H None | Legacy Database |
| cas-inchi-key | InChIKey=HBHZKFOUIUMKHV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 298-300 °C None | Legacy Database |
| cas-name | Fast Orange None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 89.53960000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 338.2790000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 338.06511942 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 25 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 7 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 3 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 131.23000000000002 Ų | RDKit |
