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Product No: AA1957

Phenylboronic acid, 95%

Name: Phenylboronic acid
Brand: Chempure

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CAS Number

98-80-6

Molecular Weight

121.93

Formula

C6H5B(OH)2

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About this item

IUPAC name	phenylboronic acid
canonical smiles	B(C1=CC=CC=C1)(O)O
inchi	InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
inchi key	HXITXNWTGFUOAU-UHFFFAOYSA-N
molecular formula	C6H7BO2
synonyms	Phenylboronic acid 98-80-6 Benzeneboronic acid Boronic acid, phenyl- Phenylboric acid
Compound Description	Phenylboronic acid is a member of boronic acids. It is functionally related to a boronic acid. Phenylboronic acid is a natural product found in Vaccinium macrocarpon with data available.

Computed Properties

Molecular Weight:	121.93 g/mol
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	1
Exact Mass:	122.0539096 g/mol
Monoisotopic Mass:	122.0539096 g/mol
Topological Polar Surface Area:	40.5 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	79.1
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Phenylboronic acid

Phenylmercuric hydroxide

3,5-Difluorophenylboronic acid

Boronooxy(phenyl)mercury

Benzeneseleninic acid

2-Fluorophenylboronic acid

4-Fluorophenylboronic acid

Phenylmercury;hydrate

1,4-Benzenediboronic acid

Mercurate(2-), (orthoborato(3-)-O)phenyl-, dihydrogen

2,4,6-Trifluorophenylboronic acid

Phenyl butyl borinic acid

Boric acid;phenylmercury

Sodium (Trihydroxy)phenylborate

3-Fluorophenylboronic acid

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (96.34%) STOT SE 3 (10.99%)
precautionary statement codes	P261, P264, P270, P271, P301+P317, P304+P340, P319, P330, P403+P233, P405, and P501
hazard statements	H302 (96.34%): Harmful if swallowed [Warning Acute toxicity, oral] H335 (10.99%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	Spontaneously converts to benzene boronic anhydride (C6-H5-B-O) in dry air. An irritant. Harmful by ingestion. See Boron.

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Documentation

Certificate of Analysis

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	phenylboronic acid
canonical smiles	B(C1=CC=CC=C1)(O)O
inchi	InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
inchi key	HXITXNWTGFUOAU-UHFFFAOYSA-N
molecular formula	C6H7BO2
synonyms	Phenylboronic acid 98-80-6 Benzeneboronic acid Boronic acid, phenyl- Phenylboric acid
Compound Description	Phenylboronic acid is a member of boronic acids. It is functionally related to a boronic acid. Phenylboronic acid is a natural product found in Vaccinium macrocarpon with data available.

Computed Properties

Molecular Weight:	121.93 g/mol
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	1
Exact Mass:	122.0539096 g/mol
Monoisotopic Mass:	122.0539096 g/mol
Topological Polar Surface Area:	40.5 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	79.1
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Phenylboronic acid

Phenylmercuric hydroxide

3,5-Difluorophenylboronic acid

Boronooxy(phenyl)mercury

Benzeneseleninic acid

2-Fluorophenylboronic acid

4-Fluorophenylboronic acid

Phenylmercury;hydrate

1,4-Benzenediboronic acid

Mercurate(2-), (orthoborato(3-)-O)phenyl-, dihydrogen

2,4,6-Trifluorophenylboronic acid

Phenyl butyl borinic acid

Boric acid;phenylmercury

Sodium (Trihydroxy)phenylborate

3-Fluorophenylboronic acid

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (96.34%) STOT SE 3 (10.99%)
precautionary statement codes	P261, P264, P270, P271, P301+P317, P304+P340, P319, P330, P403+P233, P405, and P501
hazard statements	H302 (96.34%): Harmful if swallowed [Warning Acute toxicity, oral] H335 (10.99%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	Spontaneously converts to benzene boronic anhydride (C6-H5-B-O) in dry air. An irritant. Harmful by ingestion. See Boron.

Product No: AA1957

Phenylboronic acid, 95%

Product No: AA1957

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AA1957

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?