5-bromovanillin (Q21045306)

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chemical compound

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Language	Label	Description	Also known as
English	5-bromovanillin	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

chemical structure

5-Bromvanillin.svg
235 × 218; 18 KB

1 reference

imported from Wikimedia project

German Wikipedia

mass

229.957856±0 dalton

1 reference

stated in

PubChem

PubChem CID

18099

language of work or name

English

title

5-BROMOVANILLIN (English)

retrieved

20 September 2016

chemical formula

C₈H₇BrO₃

1 reference

stated in

PubChem

PubChem CID

18099

language of work or name

English

title

5-BROMOVANILLIN (English)

retrieved

20 September 2016

canonical SMILES

COC1=C(C(=CC(=C1)C=O)Br)O

1 reference

stated in

PubChem

PubChem CID

18099

language of work or name

English

title

5-BROMOVANILLIN (English)

retrieved

20 September 2016

melting point

164.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

found in taxon

Vertebrata lanosa

1 reference

stated in

In-vitro cytotoxic activities of the major bromophenols of the red alga Polysiphonia lanosa and some novel synthetic isomers

Commons category

5-Bromovanillin

0 references

Identifiers

InChI

InChI=1S/C8H7BrO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3

1 reference

stated in

PubChem

PubChem CID

18099

language of work or name

English

title

5-BROMOVANILLIN (English)

retrieved

20 September 2016

InChIKey

KLSHZDPXXKAHIJ-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

18099

language of work or name

English

title

5-BROMOVANILLIN (English)

retrieved

20 September 2016

CAS Registry Number

2973-76-4

1 reference

InChIKey

KLSHZDPXXKAHIJ-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=2973-76-4

ChemSpider ID

17096

1 reference

stated in

ChemSpider

ChemSpider ID

17096

language of work or name

English

title

5-Bromovanillin (English)

retrieved

20 September 2016

PubChem CID

18099

2 references

stated in

PubChem

PubChem CID

18099

language of work or name

English

title

5-BROMOVANILLIN (English)

retrieved

20 September 2016

matched by identifier from

InChIKey

InChIKey

KLSHZDPXXKAHIJ-UHFFFAOYSA-N

ChEMBL ID

CHEMBL467332

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL467332

language of work or name

English

title

CHEMBL467332 (English)

retrieved

20 September 2016

SureChEMBL ID

SCHEMBL565133

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

KLSHZDPXXKAHIJ-UHFFFAOYSA-N

UniChem compound ID

311575

1 reference

stated in

UniChem

NMRShiftDB structure ID

20040771

1 reference

matched by identifier from

InChIKey

InChIKey

KLSHZDPXXKAHIJ-UHFFFAOYSA-N

DSSTox substance ID

DTXSID7022203

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

KLSHZDPXXKAHIJ-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID802203

0 references

NSC number

10073

0 references

29037

0 references

EC number

221-016-6

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.019.106

retrieved

27 December 2018

title

5-bromovanillin (English)

quotation

CAS no.: 2973-76-4 (English)

ECHA Substance Infocard ID

100.019.106

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.019.106

retrieved

27 December 2018

title

5-bromovanillin (English)

quotation

CAS no.: 2973-76-4 (English)

UNII

508WVS56PW

1 reference

matched by identifier from

InChIKey

InChIKey

KLSHZDPXXKAHIJ-UHFFFAOYSA-N

Google Knowledge Graph ID

/g/11bwdr2hzx

0 references

 

Sitelinks

Wikipedia(1 entry)

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• dewiki 5-Bromvanillin

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(1 entry)

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• commonswiki Category:5-Bromovanillin

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