Phenylboronic acid | CAS No. 98-80-6

Phenylboronic acid

Basic Information

CAS Number

98-80-6

Molecular Formula

C6H7BO2

Molecular Weight

121.93 g/mol

EINECS

202-701-9

AD

Basic Physical Properties

Physical State

White to off-white

Melting Point

216-219 °C

Boiling Point

265.9±23.0 °C(Predicted)

Density

1.13±0.1 g/cm3(Predicted)

Water Solubility

10 g/L (20 ºC)

Flash Point

114.6℃

Solubility

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)

Refractive Index

1.534

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

LogP

-0.6336000000000004

pKa

8.83(at 25℃)

Topological Polar Surface Area

40.46 Ų

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

79.1

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT
Class MOISTURE SENSITIVE Class MOISTURE SENSITIVE

Toxicity

LD50 orl-rat: 740 mg/kg 14KTAK -,693,64

Synonyms & References

English

  • NSC-66487
  • InChI=1/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9
  • Acide phenylborique
  • L12H7B02G5
  • B0857
  • Phenylboronic Acid (95%)
  • Boronic acid, B-phenyl-
  • SY257095
  • Phenylboronic acid, 22
  • NSC66487
  • dihydroxy-phenylborane
  • 98-80-6
  • Kyselina fenylborita [Czech]
  • BENZENEBORONIC ACID [MI]
  • phenyboronic acid
  • Borophenylic acid
  • Phenylboronic acid, 95%
  • CHEMBL21485
  • UNII-L12H7B02G5
  • DTXSID9059179
  • benzene boronic acid
  • F3146-0086
  • phenyl boronoic acid
  • phenyl boronicacid
  • A845913
  • NSC 66487
  • Boric acid, phenyl-
  • Q408739
  • HMS3604B07
  • DB01795
  • Ph-B(OH)2

MDL Number

MFCD00002103

EC Number

202-701-9

Customs Code

29310095

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