benzeneboronic acid (Q408739)

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chemical compound

• Benzeneboronic acid
• PBA
• Phenyl Boronic Acid

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Language	Label	Description	Also known as
English	benzeneboronic acid	chemical compound	Benzeneboronic acid PBA Phenyl Boronic Acid

Statements

instance of

type of chemical entity

0 references

subclass of

boronic acid

1 reference

stated in

Which boronic acids are used most frequently for synthesis of bioactive molecules?

chemical structure

Phenylboronic-acid-2D-skeletal.png
1,100 × 626; 29 KB

1 reference

imported from Wikimedia project

German Wikipedia

mass

122.054 dalton

1 reference

stated in

PubChem

PubChem CID

66827

language of work or name

English

title

Phenylboronic acid (English)

retrieved

19 October 2016

chemical formula

C₆H₇BO₂

1 reference

stated in

PubChem

PubChem CID

66827

language of work or name

English

title

Phenylboronic acid (English)

retrieved

18 November 2016

canonical SMILES

B(C1=CC=CC=C1)(O)O

1 reference

stated in

PubChem

PubChem CID

66827

language of work or name

English

title

Phenylboronic acid (English)

retrieved

18 November 2016

melting point

217.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

found in taxon

Vaccinium macrocarpon

1 reference

stated in

Identification of triterpene hydroxycinnamates with in vitro antitumor activity from whole cranberry fruit (Vaccinium macrocarpon).

has part(s)

boron

0 references

oxygen

0 references

carbon

0 references

hydrogen

0 references

Commons category

Phenylboronic acid

0 references

Identifiers

GND ID

4144542-9

1 reference

imported from Wikimedia project

German Wikipedia

InChI

InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H

1 reference

stated in

PubChem

PubChem CID

66827

language of work or name

English

title

Phenylboronic acid (English)

retrieved

18 November 2016

InChIKey

HXITXNWTGFUOAU-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

66827

language of work or name

English

title

Phenylboronic acid (English)

retrieved

18 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

98-80-6

2 references

stated in

Global Substance Registration System

UNII

L12H7B02G5

language of work or name

English

title

benzeneboronic acid (English)

retrieved

18 November 2016

stated in

CAS Common Chemistry

retrieved

7 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=98-80-6

InChIKey

HXITXNWTGFUOAU-UHFFFAOYSA-N

ChemSpider ID

60191

1 reference

stated in

ChemSpider

ChemSpider ID

60191

language of work or name

English

title

Phenylboronic acid (English)

retrieved

18 November 2016

PubChem CID

66827

1 reference

stated in

PubChem

PubChem CID

66827

language of work or name

English

title

Phenylboronic acid (English)

retrieved

18 November 2016

Reaxys registry number

970972

0 references

Gmelin number

3328

0 references

ChEBI ID

44923

mapping relation type

exact match

2 references

stated in

ChEMBL

ChEMBL ID

CHEMBL21485

language of work or name

English

title

PHENYLBORONIC ACID (English)

retrieved

18 November 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H

ChEMBL ID

CHEMBL21485

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL21485

language of work or name

English

title

PHENYLBORONIC ACID (English)

retrieved

18 November 2016

UniChem compound ID

355195

1 reference

stated in

UniChem

NMRShiftDB structure ID

20027399

1 reference

matched by identifier from

InChIKey

InChIKey

HXITXNWTGFUOAU-UHFFFAOYSA-N

DSSTox substance ID

DTXSID9059179

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

HXITXNWTGFUOAU-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID6049062

0 references

NSC number

66487

0 references

EC number

202-701-9

1 reference

stated in

Global Substance Registration System

UNII

L12H7B02G5

language of work or name

English

title

benzeneboronic acid (English)

retrieved

18 November 2016

ECHA Substance Infocard ID

100.002.456

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.002.456

retrieved

27 December 2018

title

Dihydroxy(phenyl)borane (English)

quotation

CAS no.: 98-80-6 (English)

UM-BBD compound ID

c0900

0 references

AICS Chemical ID (BEING DELETED)

2254

0 references

DrugBank ID

DB01795

1 reference

matched by identifier from

InChIKey

InChIKey

HXITXNWTGFUOAU-UHFFFAOYSA-N

KNApSAcK ID

C00054067

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

HXITXNWTGFUOAU-UHFFFAOYSA-N

UNII

L12H7B02G5

2 references

stated in

Global Substance Registration System

UNII

L12H7B02G5

language of work or name

English

title

benzeneboronic acid (English)

retrieved

18 November 2016

matched by identifier from

InChIKey

InChIKey

HXITXNWTGFUOAU-UHFFFAOYSA-N

Probes And Drugs ID

PD008420

0 references

KEGG ID

C16200

1 reference

stated in

ChEBI

ChEBI ID

44923

language of work or name

English

title

phenylboronic acid (English)

retrieved

19 October 2016

PDB ligand ID

PBC

0 references

Freebase ID

/m/05_5z9m

1 reference

stated in

Freebase Data Dumps

publication date

28 October 2013

Microsoft Academic ID

2777734296

0 references

OpenAlex ID

C2777734296

1 reference

stated in

OpenAlex

retrieved

26 January 2022

reference URL

https://docs.openalex.org/download-snapshot/snapshot-data-format

PDB structure ID

1JU3

1 reference

stated in

Protein Data Bank

PDB structure ID

1JU3

language of work or name

English

title

1JU3 (English)

retrieved

19 October 2016

4OB0

1 reference

stated in

Protein Data Bank

PDB structure ID

4OB0

language of work or name

English

title

4OB0 (English)

retrieved

19 October 2016

2A32

1 reference

stated in

Protein Data Bank

PDB structure ID

2A32

language of work or name

English

title

2A32 (English)

retrieved

19 October 2016

 

Sitelinks

Wikipedia(11 entries)

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• azbwiki فنیل‌بورونیک اسید
• cswiki Kyselina fenylboronová
• dewiki Benzolboronsäure
• enwiki Phenylboronic acid
• fawiki فنیل‌بورونیک اسید
• frwiki Acide phénylboronique
• itwiki Acido fenilboronico
• jawiki フェニルボロン酸
• shwiki Fenilboronska kiselina
• srwiki Fenilboronska kiselina
• zhwiki 苯硼酸

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:Phenylboronic acid

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