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Product No: AB3722

4-Boronobenzoic acid, 99%

Name: 4-Boronobenzoic acid
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

14047-29-1

Molecular Weight

165.94

Formula

C7H7BO4

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IUPAC name	4-boronobenzoic acid
canonical smiles	B(C1=CC=C(C=C1)C(=O)O)(O)O
inchi	InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)
inchi key	SIAVMDKGVRXFAX-UHFFFAOYSA-N
molecular formula	C7H7BO4
synonyms	4-Carboxyphenylboronic acid 14047-29-1 4-Boronobenzoic acid 4-Carboxybenzeneboronic Acid Benzoic acid, 4-borono-

Computed Properties

Molecular Weight:	165.94 g/mol
Hydrogen Bond Donor Count:	3
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	2
Exact Mass:	166.0437389 g/mol
Monoisotopic Mass:	166.0437389 g/mol
Topological Polar Surface Area:	77.8 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	163
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

Benzoic Acid

Terephthalic acid

4-Iodobenzoic acid

4-Chloromercuribenzoic acid

Benzoate

2-Fluorobenzoic acid

2,6-Difluorobenzoic acid

4-Carboxyphenylboronic acid

3-Fluorobenzoic acid

4-Fluorobenzoic acid

3-Iodobenzoic acid

2-Iodobenzoic acid

Hydron;benzoate

Mercurate(1-), (4-carboxylatophenyl)hydroxy-, sodium

3,4-Difluorobenzoic acid

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (23.53%) Acute Tox. 4 (11.76%) Skin Irrit. 2 (88.24%) Eye Irrit. 2 (88.24%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (23.53%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (11.76%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (88.24%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (88.24%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (11.76%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	A skin and strong eye irritant. See Benzeneboronic acid.

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*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	4-boronobenzoic acid
canonical smiles	B(C1=CC=C(C=C1)C(=O)O)(O)O
inchi	InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)
inchi key	SIAVMDKGVRXFAX-UHFFFAOYSA-N
molecular formula	C7H7BO4
synonyms	4-Carboxyphenylboronic acid 14047-29-1 4-Boronobenzoic acid 4-Carboxybenzeneboronic Acid Benzoic acid, 4-borono-

Computed Properties

Molecular Weight:	165.94 g/mol
Hydrogen Bond Donor Count:	3
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	2
Exact Mass:	166.0437389 g/mol
Monoisotopic Mass:	166.0437389 g/mol
Topological Polar Surface Area:	77.8 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	163
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

Benzoic Acid

Terephthalic acid

4-Iodobenzoic acid

4-Chloromercuribenzoic acid

Benzoate

2-Fluorobenzoic acid

2,6-Difluorobenzoic acid

4-Carboxyphenylboronic acid

3-Fluorobenzoic acid

4-Fluorobenzoic acid

3-Iodobenzoic acid

2-Iodobenzoic acid

Hydron;benzoate

Mercurate(1-), (4-carboxylatophenyl)hydroxy-, sodium

3,4-Difluorobenzoic acid

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (23.53%) Acute Tox. 4 (11.76%) Skin Irrit. 2 (88.24%) Eye Irrit. 2 (88.24%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (23.53%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (11.76%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (88.24%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (88.24%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (11.76%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	A skin and strong eye irritant. See Benzeneboronic acid.

Product No: AB3722

4-Boronobenzoic acid, 99%

Product No: AB3722

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: AB3722

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?