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C.I. Acid Red 97

CAS: 10169-02-5 | C32H22N4Na2O8S2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 10169-02-5
Molecular Formula: C32H22N4Na2O8S2
Molecular Weight: 700.6620000000004 g/mol

Names and Synonyms:

C.I. Acid Red 97
Acid Milling Scarlet R
Kemacid Milling Red CG
Best Acid Milling Orange 3R
Acid Milling Scarlet 4B
Colocid Red BG
Acid Milling Red CG
Pharmaglo Red G
Hexaderm Red MRG
Crispin Red GM
Benzyl Red GS
Belacid Milling Red G
Anaracid Scarlet R
Vicoacid Red 97
Acid Scarlet R
Covalene Scarlet G
Acid Red NS
Triacor Red GR
Sakolan Scarlet ZH
D&C Red 22-308263
Ratna Acid Scarlet R
Trupocolor Scarlet GM
Acid Red 97
Vondamol Brilliant Red G
Shikiso Acid Anthracene Red G
Milling Scarlet R
Coomassie Milling Scarlet G
Anthra Red G
Alizarine Chrome Red G
Airedale Scarlet GM
Acid Anthracene Red GA-CF
Acid Anthracene Red G
[1,1′-Biphenyl]-2,2′-disulfonic acid, 4,4′-bis[(2-hydroxy-1-naphthalenyl)azo]-, disodium salt
[1,1′-Biphenyl]-2,2′-disulfonic acid, 4,4′-bis[2-(2-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:2)
Romexal Red G
Vopsider Red AG
Acid Red G
Korostan Red G
C.I. Acid Red 97
Supranol Scarlet GS
Sumitomo Fast Scarlet G
Suminol Brilliant Scarlet DH
Polycor Red GS
Milling Scarlet DH
Milling Scarlet 2G
Fenazo Red FG
Coriacide Scarlet R
Benzyl Red MG
Azo Milling Red G
C.I. 22890
Acidal Red MV
Pacid Red
Dinacid Fast Scarlet G
Sandolan Scarlet N 2G
Ambinyl Scarlet MG
Dynacid Red G
Indacid Milling Red G
Leather Milling Scarlet 3G
Anadurm Red M-RC
Triacid Scarlet GC
Xylene Milling Red G
Optanol Scarlet GS
Naphthalene Leather Scarlet G
Milling Red A
Cyanine Fast Scarlet G
Coomassie Milling Scarlet GP
Calcocid Milling Red G
Amacid Milling Scarlet G
Altochrome Scarlet G
C.I. Acid Red 97, disodium salt
Tertracid Milling Red AGE

Identifiers:

SMILES:
O=S(=O)(O)c1cc(N=Nc2c(O)ccc3ccccc23)ccc1-c1ccc(N=Nc2c(O)ccc3ccccc23)cc1S(=O)(=O)O.[Na].[Na]
InChI:
InChI=1S/C32H22N4O8S2.2Na/c37-27-15-9-19-5-1-3-7-23(19)31(27)35-33-21-11-13-25(29(17-21)45(39,40)41)26-14-12-22(18-30(26)46(42,43)44)34-36-32-24-8-4-2-6-20(24)10-16-28(32)38;;/h1-18,37-38H,(H,39,40,41)(H,42,43,44);;

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

Molecular

Property Value Source
Molecular Weight 700.6620000000004 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 700.0674442240003 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 48 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 10 count RDKit
Hydrogen Bond Donors 4 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 7 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 6 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 198.64 Ų RDKit

Physical Properties

Property Value Source
LogP 7.633800000000008 RDKit
molecular_mass 700.66 g/mol Legacy Database
cas-canonical-smile [Na].O=S(=O)(O)C=1C=C(N=NC2=C(O)C=CC=3C=CC=CC32)C=CC1C4=CC=C(N=NC5=C(O)C=CC=6C=CC=CC65)C=C4S(=O)(=O)O None Legacy Database
cas-inchi InChI=1S/C32H22N4O8S2.2Na/c37-27-15-9-19-5-1-3-7-23(19)31(27)35-33-21-11-13-25(29(17-21)45(39,40)41)26-14-12-22(18-30(26)46(42,43)44)34-36-32-24-8-4-2-6-20(24)10-16-28(32)38;;/h1-18,37-38H,(H,39,40,41)(H,42,43,44);; None Legacy Database
cas-inchi-key InChIKey=VSNSIVKRAMWIQP-UHFFFAOYSA-N None Legacy Database
cas-name C.I. Acid Red 97 None Legacy Database

Molar

Property Value Source
Molar Refractivity 182.59279999999976 RDKit

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