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Phenylboronic Acid (95%)

CAT: 0572-TRC-P319590-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P319590-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
98-80-6
Synonyms
B-Phenylboronic Acid; Dihydroxyphenylborane; NSC 66487; Phenylboric Acid; Phenylboronic Acid; Phenyldihydroxyborane
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
OB(O)c1ccccc1
Molecular Formula
C6H7BO2
Molecular Weight
121.93
InChI
InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
Additionnal Information
IUPAC name: phenylboronic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Phenylboronic Acid

Phenylboronic acid is a member of boronic acids. It is functionally related to a boronic acid.

CAS Number98-80-6
PubChem CID66827
IUPAC Namephenylboronic acid
Molecular FormulaC6H7BO2
Molecular Weight121.93
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity79
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
InChIKey
HXITXNWTGFUOAU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenylboronic Acid
CAS: 98-80-6
CID: 66827
Formula: C6H7BO2
MW: 121.93
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight121.93
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass122.0539096
Monoisotopic Mass122.0539096
Topological Polar Surface Area40.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity79.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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