pigment red 3 (Q27155932)

CHEMBL2138372 (English)

9 October 2016

chemical formula

C₁₇H₁₃N₃O₃

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=CC=C(C(=C1)[N+](=O)[O-])N=NC2=C3C=CC=CC3=CC=C2O

1 reference

pigment red 3 (English)

18 November 2016

isomeric SMILES

CC1=CC=C(C(=C1)[N+](=O)[O-])/N=N/C2=C3C=CC=CC3=CC=C2O

1 reference

pigment red 3 (English)

InChI=1S/C17H13N3O3/c1-11-6-8-14(15(10-11)20(22)23)18-19-17-13-5-3-2-4-12(13)7-9-16(17)21/h2-10,21H,1H3/b19-18+

18 November 2016

Identifiers

InChI

1 reference

pigment red 3 (English)

ZLFVRXUOSPRRKQ-VHEBQXMUSA-N

18 November 2016

InChIKey

2 references

pigment red 3 (English)

18 November 2016

ChEBI release 2020-09-01

CAS Registry Number

2425-85-6

1 reference

pigment red 3 (English)

18 November 2016

1 reference

[(4-Methyl-2-nitrophenyl)azo]-2-naphthol (English)

18 November 2016

ChEBI ID

82428

mapping relation type

1 reference

CHEMBL2138372 (English)

18 November 2016

1 reference

matched by identifier from

CHEMBL2138372 (English)

18 November 2016

2 references

inferred from InChIKey

InChIKey

ZLFVRXUOSPRRKQ-VHEBQXMUSA-N

0 references

1 reference

Hazardous Substances Data Bank

28 October 2019

C.I. PIGMENT RED 3 (English)

10 May 2021

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

0 references

219-372-2

1 reference

pigment red 3 (English)

ECHA Substance Infocard ID

18 November 2016

100.017.612

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.017.612

27 December 2018

AICS Chemical ID (BEING DELETED)

1-(4-methyl-2-nitrophenylazo)-2-naphthol (English)

quotation

CAS no.: 2425-85-6 (English)

1 reference

28 December 2019

CI 12120 (English)

CAS no.: 2425-85-6 (English)

0 references

2 references

pigment red 3 (English)

matched by identifier from

18 November 2016

InChIKey

ZLFVRXUOSPRRKQ-VHEBQXMUSA-N

1 reference

CI Pigment Red 3 (English)