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Naphthol Red

CAS: 2786-76-7 | C26H22N4O4

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 2786-76-7
Molecular Formula: C26H22N4O4
Molecular Weight: 454.4860000000002 g/mol

Names and Synonyms:

Naphthol Red
JHR 1703L
Brilliant Carmine 7010
Graphtol Red F3RK 70-CN09
F 3RK70
F 2RK
Permanent Red BH 5RK
Naphthol Red 170
KP Plast P-Red 3RH
C.I. PR 170
Graphtol Red F 3RK70
Permanent Red P-FK
Red F 3RK70
Naphthol Red 5R
4708 Permanent Red F 5RK
Eljon Red NRO
Hostaperm Red F 5RK
PR 170
Euderm Red
Naphthol Red 3172
Naphtol Red B 7032C
Novoperm Red F 6RK
Red F 5RK
Permanent Red F 3RK
Lysopac Red 7030C
Sunbrite Red 170
L 1/8 Red F 3RK70
Novoperm Red F 2RK70N
Fuji Fast Red 2200
Seikafast Red 3820
Novoperm Red F 2RK70
Sanyo Brilliant Carmine 7009
Seikafast Red 3891
Sumitone Fast Red BRS
Suimei Fast Red ER
Naphthol AS Red
Novoperm Red F 5RK
Novoperm Red F 3RK
Novoperm Red F 3RK70
Graphtol Red NFB
Pigment Red 170
C.I. 12475
Permanent Red F 3RK70
Permanent Red F 5RK
C.I. Pigment Red 170
4-[2-[4-(Aminocarbonyl)phenyl]diazenyl]-N-(2-ethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide
2-Naphthalenecarboxamide, 4-[[4-(aminocarbonyl)phenyl]azo]-N-(2-ethoxyphenyl)-3-hydroxy-
2-Naphtho-o-phenetidide, 4-[(p-carbamoylphenyl)azo]-3-hydroxy-
2-Naphthalenecarboxamide, 4-[2-[4-(aminocarbonyl)phenyl]diazenyl]-N-(2-ethoxyphenyl)-3-hydroxy-

Identifiers:

SMILES:
CCOc1ccccc1N=C(O)c1cc2ccccc2c(N=Nc2ccc(C(N)=O)cc2)c1O
InChI:
InChI=1S/C26H22N4O4/c1-2-34-22-10-6-5-9-21(22)28-26(33)20-15-17-7-3-4-8-19(17)23(24(20)31)30-29-18-13-11-16(12-14-18)25(27)32/h3-15,31H,2H2,1H3,(H2,27,32)(H,28,33)

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.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
cas-inchi InChI=1S/C26H22N4O4/c1-2-34-22-10-6-5-9-21(22)28-26(33)20-15-17-7-3-4-8-19(17)23(24(20)31)30-29-18-13-11-16(12-14-18)25(27)32/h3-15,31H,2H2,1H3,(H2,27,32)(H,28,33) None Legacy Database
cas-inchi-key InChIKey=BGVYDWVAGZBEMJ-UHFFFAOYSA-N None Legacy Database
cas-name Pigment Red 170 None Legacy Database
wikipedia-name Naphthol Red None Legacy Database
density 1.40 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Naphthol_Red None Legacy Database
cas-canonical-smile O=C(N)C1=CC=C(N=NC2=C(O)C(=CC=3C=CC=CC32)C(=O)NC=4C=CC=CC4OCC)C=C1 None Legacy Database
cas-density 1.395 g/cm3 None Legacy Database
LogP 6.094700000000004 RDKit
molecular_mass 454.49 g/mol Legacy Database

Molecular

Property Value Source
Molecular Weight 454.4860000000002 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 454.16410518400005 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 34 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 6 count RDKit
Hydrogen Bond Donors 3 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 7 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 4 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 129.85999999999999 Ų RDKit

Molar

Property Value Source
Molar Refractivity 131.18550000000005 RDKit

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