(Q27252416)

C.I. Basic Brown 4 (8CI) (English)

14 October 2016

chemical formula

C₂₁H₂₆Cl₂N₈

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=CC=C(C=C1N=NC2=CC(=C(C=C2N)N)C)N=NC3=CC(=C(C=C3N)N)C.Cl.Cl

1 reference

bismark brown r (English)

14 October 2016

isomeric SMILES

CC1=CC=C(C=C1/N=N/C2=CC(=C(C=C2N)N)C)/N=N/C3=CC(=C(C=C3N)N)C.Cl.Cl

1 reference

bismark brown r (English)

InChI=1S/C21H24N8.2ClH/c1-11-4-5-14(26-28-20-6-12(2)15(22)9-17(20)24)8-19(11)27-29-21-7-13(3)16(23)10-18(21)25;;/h4-10H,22-25H2,1-3H3;2*1H/b28-26+,29-27+;;

14 October 2016

Identifiers

InChI

1 reference

bismark brown r (English)

WLKAMFOFXYCYDK-CYXDXXRZSA-N

14 October 2016

InChIKey

1 reference

bismark brown r (English)

14 October 2016

0 references

1 reference

matched by identifier from

C.I. Basic Brown 4 (8CI) (English)

14 October 2016

2 references

inferred from InChIKey

InChIKey

WLKAMFOFXYCYDK-CYXDXXRZSA-N

DSSTox substance ID

DTXSID5063861

0 references

DSSTOX compound identifier

0 references

0 references

226-541-4

1 reference

bismark brown r (English)

ECHA Substance Infocard ID

14 October 2016

100.024.129

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.024.129

27 December 2018

AICS Chemical ID (BEING DELETED)

2,4-bis(2,4-diamino-5-methyl-1-benzenazo)toluene (English)

quotation

CAS no.: 5421-66-9 (English)

0 references

2 references

bismark brown r (English)