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Para Red
CAS: 6410-10-2 | C16H11N3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6410-10-2
Molecular Formula:
C16H11N3O3
Molecular Weight:
293.28200000000004 g/mol
Names and Synonyms:
Para Red
Para Red YS
Printofix Red HN
NSC 70812
NSC 210792
1-(2-Hydroxynaphthyl)-4′-nitroazobenzene
1-[(4-Nitrophenyl)azo]-2-naphthol
Pigment Red Zh
Pigment Red 1
1-[(p-Nitrophenyl)azo]-2-naphthol
p-Nitraniline red
Tolyl Red LL
Tolyl Red M
Tolyl Red D
Tertropigment Red PAB
Symuler Fast Para Red
Siloton Red G
Siloton Red B
Sanyo Signal Red Pure
Recolite Para Red G
Recolite Para Red B
Pigment Red R
Pigment Red G
Pigment Red B
Para Toner Red
Para Toner Light RT 370
Para Toner Light A 4329
C.P. Para Toner Light RP 2
Para Toner Y 20-1150
Para Toner D
Para Toner Deep A 1757
Para Toner Dark 5065
Para Toner B
Para Toner
Para Red Toner RPT 52
Para Red Toner
Para Red Light RA 1210
Para Red Light 10333
Para Red Light
Para Red Dark RA 1280
Para Red Dark
Para Red BS
Para Red B 20-2080
Para Red
Para Nitraniline Red
No. 7 Conc. Deep Red
Monolite Fast Red BA
Monolite Fast Red B
Lutetia Red N
Lutetia Red B
Lake Red PN
Lake Red 2R
Lacal Red GN
Label Red
Kromon Para Red YS
Kromon Para Red BS
Isol Para Red B
Federal Red
Eljon Para Red
Duplex Para Red XD 20-2900
Dainichi Para Red Toner
Conc. Para Red YS
Conc. Para Red
Carnelio Para Red YS
Carnelio Para Red BS
C.P. Britelite Toner RP 9
C.I. 12070
1-[2-(4-Nitrophenyl)diazenyl]-2-naphthalenol
2-Naphthol, 1-(p-nitrophenylazo)-
2-Naphthalenol, 1-[(4-nitrophenyl)azo]-
C.I. Pigment Red 1
2-Naphthalenol, 1-[2-(4-nitrophenyl)diazenyl]-
Identifiers:
SMILES:
O=[N+]([O-])c1ccc(N=Nc2c(O)ccc3ccccc23)cc1
InChI:
InChI=1S/C16H11N3O3/c20-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)19(21)22/h1-10,20H
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 293.28200000000004 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 293.080041212 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 22 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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 4.869000000000002 | RDKit |
| molecular_mass | 293.28 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Para_red None | Legacy Database |
| cas-canonical-smile | O=N(=O)C1=CC=C(N=NC2=C(O)C=CC=3C=CC=CC32)C=C1 None | Legacy Database |
| cas-inchi | InChI=1S/C16H11N3O3/c20-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)19(21)22/h1-10,20H None | Legacy Database |
| cas-inchi-key | InChIKey=WOTPFVNWMLFMFW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 251 °C None | Legacy Database |
| cas-name | Pigment Red 1 None | Legacy Database |
| wikipedia-name | Para red None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 82.88520000000003 | RDKit |
