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Details

Stereochemistry ACHIRAL
Molecular Formula C35H27N9O7S2.2Na
Molecular Weight 795.755
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of DIRECT BLACK 4

SMILES

[Na+].[Na+].CC1=C(N)C=C(N)C(=C1)\N=N\C2=CC=C(C=C2)C3=CC=C(C=C3)\N=N\C4=C(C=C5C=C(C(\N=N\C6=CC=CC=C6)=C(O)C5=C4N)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=LWPZXDCHPRMLBN-GLEUTNGMSA-L
InChI=1S/C35H29N9O7S2.2Na/c1-19-15-28(27(37)18-26(19)36)42-39-24-11-7-20(8-12-24)21-9-13-25(14-10-21)41-43-33-29(52(46,47)48)16-22-17-30(53(49,50)51)34(35(45)31(22)32(33)38)44-40-23-5-3-2-4-6-23;;/h2-18,45H,36-38H2,1H3,(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2/b42-39+,43-41+,44-40+;;

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C35H27N9O7S2
Molecular Weight 749.775
Charge -2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 3
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:15:55 GMT 2025
Edited
by admin
on Mon Mar 31 22:15:55 GMT 2025
Record UNII
63X35PF58V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COTTON BLACK MT
Preferred Name English
DIRECT BLACK 4
Common Name English
NSC-73417
Code English
C.I. DIRECT BLACK 4
Common Name English
2,7-NAPHTHALENEDISULFONIC ACID, 4-AMINO-3-((4'-((2,4-DIAMINO-5-METHYLPHENYL)AZO)(1,1'-BIPHENYL)-4-YL)AZO)-5-HYDROXY-6-(PHENYLAZO)-, DISODIUM SALT
Systematic Name English
DISODIUM 4-AMINO-3-((4'-((2,4-DIAMINO-5- METHYLPHENYL)AZO)(1,1'-BIPHENYL)-4-YL)AZO)-5-HYDROXY-6- (PHENYLAZO)NAPHTHALENE-2,7-DISULPHONATE
Common Name English
CI DIRECT BLACK 4 [HSDB]
Common Name English
PAPER DEEP BLACK R
Brand Name English
CI 30245
Common Name English
CI DIRECT BLACK 4, DISODIUM SALT
Common Name English
2,7-NAPHTHALENEDISULFONIC ACID, 4-AMINO-3-(2-(4'-(2-(2,4-DIAMINO-5-METHYLPHENYL)DIAZENYL)(1,1'-BIPHENYL)-4-YL)DIAZENYL)-5-HYDROXY-6-(2-PHENYLDIAZENYL)-, SODIUM SALT (1:2)
Systematic Name English
Code System Code Type Description
HSDB
4229
Created by admin on Mon Mar 31 22:15:55 GMT 2025 , Edited by admin on Mon Mar 31 22:15:55 GMT 2025
PRIMARY
FDA UNII
63X35PF58V
Created by admin on Mon Mar 31 22:15:55 GMT 2025 , Edited by admin on Mon Mar 31 22:15:55 GMT 2025
PRIMARY
CAS
2429-83-6
Created by admin on Mon Mar 31 22:15:55 GMT 2025 , Edited by admin on Mon Mar 31 22:15:55 GMT 2025
PRIMARY
ECHA (EC/EINECS)
219-392-1
Created by admin on Mon Mar 31 22:15:55 GMT 2025 , Edited by admin on Mon Mar 31 22:15:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID1062413
Created by admin on Mon Mar 31 22:15:55 GMT 2025 , Edited by admin on Mon Mar 31 22:15:55 GMT 2025
PRIMARY
NSC
73417
Created by admin on Mon Mar 31 22:15:55 GMT 2025 , Edited by admin on Mon Mar 31 22:15:55 GMT 2025
PRIMARY