4-chloro-2-nitrotoluene (Q19820040)

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chemical compound

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Language	Label	Description	Also known as
English	4-chloro-2-nitrotoluene	chemical compound

Statements

instance of

type of chemical entity

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subclass of

chemical compound

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chemical structure

4-chloro-2-nitrotoluene.svg
235 × 306; 11 KB

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mass

171.008706112 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₇H₆ClNO₂

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based on heuristic

inferred from SMILES

canonical SMILES

CC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

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melting point

36.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

Identifiers

InChI

InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3

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InChIKey

SQFLFRQWPBEDHM-UHFFFAOYSA-N

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CAS Registry Number

89-59-8

1 reference

InChIKey

SQFLFRQWPBEDHM-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

10 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=89-59-8

ChemSpider ID

6709

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PubChem CID

6975

1 reference

matched by identifier from

InChIKey

InChIKey

SQFLFRQWPBEDHM-UHFFFAOYSA-N

SureChEMBL ID

SCHEMBL400340

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

SQFLFRQWPBEDHM-UHFFFAOYSA-N

UniChem compound ID

8996237

1 reference

stated in

UniChem

NMRShiftDB structure ID

20097212

1 reference

matched by identifier from

InChIKey

InChIKey

SQFLFRQWPBEDHM-UHFFFAOYSA-N

DSSTox substance ID

DTXSID4058994

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

SQFLFRQWPBEDHM-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID2048662

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NSC number

5386

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EC number

201-921-2

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stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.001.747

retrieved

29 July 2019

title

4-chloro-2-nitrotoluene (English)

quotation

CAS no.: 89-59-8 (English)

ECHA Substance Infocard ID

100.001.747

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.001.747

retrieved

29 July 2019

title

4-chloro-2-nitrotoluene (English)

quotation

CAS no.: 89-59-8 (English)

Google Knowledge Graph ID

/g/11b7qz5k_g

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Sitelinks

Wikipedia(2 entries)

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• dewiki 4-Chlor-2-nitrotoluol
• fiwiki 4-kloori-2-nitrotolueeni

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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