Direct Black 168 (tech grade)

Product Specifications

CAS Number

85631-88-5

Synonyms

4-amino-3-[2-[4-[[4-[2-(2-amino-4-hydroxyphenyl)diazenyl]phenyl]amino]-3-sulfophenyl]diazenyl]-5-hydroxy-6-(2-phenyldiazenyl)-2,7-Naphthalenedisulfonic acid sodium salt; 4-amino-3-[[4-[[4-[(2-amino-4-hydroxyphenyl)azo]phenyl]amino]-3-sulfophenyl]azo]-5-hydroxy-6-(phenylazo)-2,7-Naphthalenedisulfonic acid trisodium salt; C.I. 335475; C.I. Direct Black 168; Coriacide Black SB; Derma Carbon NBS; Direct Black H 8F-SF-VP132; Direct Black HEF Liq.; Direct Black HEF-SF; Duasyn Black HEF-SF Liquid; Duasyn Direct Black HEF; Duasyn Direct Black HEF-SF

Hazard Statement

Harmful to aquatic life with long lasting effects

Smiles

NC1=CC(=O)C=C/C/1=N\Nc2ccc(Nc3ccc(cc3S(=O)(=O)O[Na])\N=N\c4c(N)c5C(=O)\C(=N/Nc6ccccc6)\C(=Cc5cc4S(=O)(=O)O[Na])S(=O)(=O)O[Na])cc2

Molecular Formula

C34 H24 N9 Na3 O11 S3

Molecular Weight

899.772

InChI

InChI=1S/C34H27N9O11S3.3Na/c35-24-17-23(44)11-13-25(24)41-38-21-8-6-19(7-9-21)37-26-12-10-22(16-27(26)55(46,47)48)40-42-32-28(56(49,50)51)14-18-15-29(57(52,53)54)33(34(45)30(18)31(32)36)43-39-20-4-2-1-3-5-20;;;/h1-17,37-39H,35-36H2,(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3/b41-25+,42-40+,43-33-;;;

Additionnal Information

IUPAC name: [(3E)-5-amino-6-[(E)-[4-[4-[(2E)-2-(2-amino-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]anilino]-3-sodiooxysulfonylphenyl]diazenyl]-4-oxo-3-(phenylhydrazinylidene)-7-sodiooxysulfonylnaphthalen-2-yl]sulfonyloxysodium