(Q72449660)

English

4-Chloro-3,5-dinitrobenzoic acid

chemical compound

3,5-Dinitro-4-chlorobenzoic acid

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

245.967963496 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₇H₃ClN₂O₆

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canonical SMILES

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

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melting point

161.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

Identifiers

InChI

InChI=1S/C7H3ClN2O6/c8-6-4(9(13)14)1-3(7(11)12)2-5(6)10(15)16/h1-2H,(H,11,12)

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InChIKey

PCTFIHOVQYYAMH-UHFFFAOYSA-N

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CAS Registry Number

118-97-8

1 reference

InChIKey

PCTFIHOVQYYAMH-UHFFFAOYSA-N

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=118-97-8

PubChem CID

8377

1 reference

matched by identifier from

InChIKey

PCTFIHOVQYYAMH-UHFFFAOYSA-N

1 reference

NMRShiftDB structure ID

20044819

1 reference

matched by identifier from

InChIKey

PCTFIHOVQYYAMH-UHFFFAOYSA-N

DSSTox substance ID

DTXSID2059481

1 reference

matched by identifier from

InChIKey

PCTFIHOVQYYAMH-UHFFFAOYSA-N

DSSTOX compound identifier

0 references

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204-290-1

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ECHA Substance Infocard ID

100.003.901

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.003.901

retrieved

29 December 2019

title

4-chloro-3,5-dinitrobenzoic acid (English)

quotation

CAS no.: 118-97-8 (English)

UNII

469845UZF8

1 reference

matched by identifier from

InChIKey

PCTFIHOVQYYAMH-UHFFFAOYSA-N

(Q72449660)

4-Chloro-3,5-dinitrobenzoic acid

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