CAS 98-80-6 Phenylboronic acid - Materials / Alfa Chemistry

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Phenylboronic acid

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Catalog Number

ACM98806

Product Name

Phenylboronic acid

Structure

CAS

98-80-6

Category

Salt

Synonyms

Benzenboronic acid

IUPAC Name

phenylboronic acid

Molecular Weight

121.93

Molecular Formula

C6H7BO2

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

Boiling Point

265.9±23.0 °C

Melting Point

216-219 °C (lit.)

Purity

99.5%+

Density

1.13±0.1 g/ml

Complexity

79.1

Covalently-Bonded Unit Count

EC Number

202-701-9

Exact Mass

122.05391g/mol

Formal Charge

Heavy Atom Count

Log P

1.58 (LogP)

MeSH Entry Terms

benzeneboronic acid;phenylboronate;phenylboronic acid

Monoisotopic Mass

122.05391g/mol

NSC Number

66487

Rotatable Bond Count

UNII

L12H7B02G5

MSDS

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COA

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Spec Sheet

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