4-nitrobenzaldehyde (Q2816679)

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chemical compound

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Language	Label	Description	Also known as
English	4-nitrobenzaldehyde	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

nitrobenzaldehyde

0 references

chemical structure

4-nitrobenzaldehyde.svg
298 × 691; 7 KB

0 references

mass

151.026943 dalton

1 reference

stated in

PubChem

PubChem CID

541

language of work or name

English

title

4-nitrobenzaldehyde (English)

retrieved

19 September 2016

chemical formula

C₇H₅NO₃

1 reference

stated in

PubChem

PubChem CID

541

language of work or name

English

title

4-nitrobenzaldehyde (English)

retrieved

19 September 2016

canonical SMILES

C1=CC(=CC=C1C=O)[N+](=O)[O-]

1 reference

stated in

PubChem

PubChem CID

541

language of work or name

English

title

4-nitrobenzaldehyde (English)

retrieved

19 September 2016

melting point

105.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

found in taxon

Escherichia coli

1 reference

stated in

Conversion of methylglyoxal to acetol by Escherichia coli aldo-keto reductases

Identifiers

InChI

InChI=1S/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H

1 reference

stated in

PubChem

PubChem CID

541

language of work or name

English

title

4-nitrobenzaldehyde (English)

retrieved

19 September 2016

InChIKey

BXRFQSNOROATLV-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

541

language of work or name

English

title

4-nitrobenzaldehyde (English)

retrieved

19 September 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

555-16-8

2 references

imported from Wikimedia project

English Wikipedia

InChIKey

BXRFQSNOROATLV-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

8 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=555-16-8

ChemSpider ID

526

1 reference

stated in

ChemSpider

ChemSpider ID

526

language of work or name

English

title

4-Nitrobenzaldehyde (English)

retrieved

19 September 2016

PubChem CID

541

2 references

stated in

PubChem

PubChem CID

541

language of work or name

English

title

4-nitrobenzaldehyde (English)

retrieved

19 September 2016

matched by identifier from

InChIKey

InChIKey

BXRFQSNOROATLV-UHFFFAOYSA-N

ChEBI ID

66926

mapping relation type

exact match

2 references

stated in

ChEMBL

ChEMBL ID

CHEMBL164236

language of work or name

English

title

CHEMBL164236 (English)

retrieved

19 September 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H

ChEMBL ID

CHEMBL164236

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL164236

language of work or name

English

title

CHEMBL164236 (English)

retrieved

19 September 2016

SureChEMBL ID

SCHEMBL1157

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

BXRFQSNOROATLV-UHFFFAOYSA-N

UniChem compound ID

254264

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP001660

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005715

0 references

SPLASH

splash10-0udi-8900000000-af01c134906fa6ff4215

0 references

NMRShiftDB structure ID

10006115

1 reference

matched by identifier from

InChIKey

InChIKey

BXRFQSNOROATLV-UHFFFAOYSA-N

ZVG number

493266

0 references

DSSTox substance ID

DTXSID5022061

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

BXRFQSNOROATLV-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID402061

0 references

NSC number

6103

0 references

EC number

209-084-5

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.008.259

retrieved

27 December 2018

title

4-nitrobenzaldehyde (English)

quotation

CAS no.: 555-16-8 (English)

ECHA Substance Infocard ID

100.008.259

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.008.259

retrieved

27 December 2018

title

4-nitrobenzaldehyde (English)

quotation

CAS no.: 555-16-8 (English)

AICS Chemical ID (BEING DELETED)

4877

0 references

Human Metabolome Database ID

HMDB0246531

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

BXRFQSNOROATLV-UHFFFAOYSA-N

KNApSAcK ID

C00062194

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

BXRFQSNOROATLV-UHFFFAOYSA-N

UNII

NX859P8MB0

1 reference

matched by identifier from

InChIKey

InChIKey

BXRFQSNOROATLV-UHFFFAOYSA-N

PDB ligand ID

XXH

0 references

Freebase ID

/m/0h68j3c

1 reference

stated in

Freebase Data Dumps

publication date

28 October 2013

Microsoft Academic ID

2777830771

0 references

ScienceDirect topic ID

chemistry/4-nitrobenzaldehyde

0 references

 

Sitelinks

Wikipedia(13 entries)

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• azbwiki ۴-نیتروبنزآلدهید
• dewiki 4-Nitrobenzaldehyd
• enwiki 4-Nitrobenzaldehyde
• eowiki Nitrobenzaldehido
• fawiki ۴-نیتروبنزآلدهید
• fiwiki P-Nitrobentsaldehydi
• frwiki 4-Nitrobenzaldéhyde
• kowiki 4-나이트로벤즈알데하이드
• shwiki 4-Nitrobenzaldehid
• srwiki 4-Nitrobenzaldehid
• tawiki 4-நைட்ரோபென்சால்டிகைடு
• trwiki 4-Nitrobenzaldehit
• zhwiki 4-硝基苯甲醛

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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