3-amino-6-chlorotoluene-4-sulfonic acid (Q17521832)

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chemical compound

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Language	Label	Description	Also known as
English	3-amino-6-chlorotoluene-4-sulfonic acid	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

benzenesulfonic acid

1 reference

based on heuristic

inferred from SMILES

chemical structure

Lake Red C Amine.svg
164 × 108; 17 KB

1 reference

imported from Wikimedia project

German Wikipedia

mass

220.991±0 dalton

1 reference

stated in

PubChem

PubChem CID

6936

language of work or name

English

title

88-53-9 (English)

retrieved

14 October 2016

chemical formula

C₇H₈ClNO₃S

1 reference

stated in

PubChem

PubChem CID

6936

language of work or name

English

title

88-53-9 (English)

retrieved

14 October 2016

canonical SMILES

CC1=CC(=C(C=C1Cl)S(=O)(=O)O)N

1 reference

stated in

PubChem

PubChem CID

6936

language of work or name

English

title

88-53-9 (English)

retrieved

14 October 2016

Identifiers

InChI

InChI=1S/C7H8ClNO3S/c1-4-2-6(9)7(3-5(4)8)13(10,11)12/h2-3H,9H2,1H3,(H,10,11,12)

1 reference

stated in

PubChem

PubChem CID

6936

language of work or name

English

title

88-53-9 (English)

retrieved

14 October 2016

InChIKey

VYZCFAPUHSSYCC-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

6936

language of work or name

English

title

88-53-9 (English)

retrieved

14 October 2016

CAS Registry Number

88-53-9

2 references

stated in

Global Substance Registration System

UNII

HNF96511X2

language of work or name

English

title

3-amino-6-chlorotoluene-4-sulfonic acid (English)

retrieved

14 October 2016

InChIKey

VYZCFAPUHSSYCC-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=88-53-9

ChemSpider ID

6670

1 reference

stated in

ChemSpider

ChemSpider ID

6670

language of work or name

English

title

5-Amino-2-chlorotoluene-4-sulfonic Acid (English)

retrieved

14 October 2016

PubChem CID

6936

2 references

stated in

PubChem

PubChem CID

6936

language of work or name

English

title

88-53-9 (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

VYZCFAPUHSSYCC-UHFFFAOYSA-N

129881392

1 reference

matched by identifier from

InChIKey

InChIKey

VYZCFAPUHSSYCC-UHFFFAOYSA-N

ChEMBL ID

CHEMBL3182943

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL3182943

language of work or name

English

title

CHEMBL3182943 (English)

retrieved

14 October 2016

SureChEMBL ID

SCHEMBL315975

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

VYZCFAPUHSSYCC-UHFFFAOYSA-N

UniChem compound ID

23379295

1 reference

stated in

UniChem

NMRShiftDB structure ID

20246966

1 reference

matched by identifier from

InChIKey

InChIKey

VYZCFAPUHSSYCC-UHFFFAOYSA-N

HSDB ID

5259

1 reference

stated in

Hazardous Substances Data Bank

HSDB ID

5259

publication date

28 October 2019

title

2-AMINO-5-CHLORO-4-METHYLBENZENESULFONIC ACID (English)

retrieved

10 May 2021

DSSTox substance ID

DTXSID7026528

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

VYZCFAPUHSSYCC-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID406528

0 references

EC number

201-839-7

1 reference

stated in

Global Substance Registration System

UNII

HNF96511X2

language of work or name

English

title

3-amino-6-chlorotoluene-4-sulfonic acid (English)

retrieved

14 October 2016

ECHA Substance Infocard ID

100.001.672

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.001.672

retrieved

27 December 2018

title

5-amino-2-chlorotoluene-4-sulphonic acid (English)

quotation

CAS no.: 88-53-9 (English)

AICS Chemical ID (BEING DELETED)

1587

0 references

UNII

HNF96511X2

2 references

stated in

Global Substance Registration System

UNII

HNF96511X2

language of work or name

English

title

3-amino-6-chlorotoluene-4-sulfonic acid (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

VYZCFAPUHSSYCC-UHFFFAOYSA-N

Google Knowledge Graph ID

/g/1q67l7yxf

0 references

 

Sitelinks

Wikipedia(1 entry)

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• dewiki 2-Amino-5-chlor-4-methylbenzolsulfonsäure

Wikibooks(0 entries)

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Wikinews(0 entries)

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Wikiquote(0 entries)

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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Multilingual sites(0 entries)

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