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98-80-6

98-80-6 Structure

98-80-6 Structure
IdentificationMore
[Name]

Phenylboronic acid
[CAS]

98-80-6
[Synonyms]

AKOS BRN-0133
BENZENEBORONIC ACID
BENZENEBORONIC ACID/ANHYDRIDE
BIO-FARMA BF001405
BORONIC ACID, PHENYL-
DIHYDROXYPHENYLBORANE
PHENYLBORIC ACID
PHENYLBORON DIHYDROXIDE
PHENYLBORONIC ACID
RARECHEM AH PB 0250
acidephenylborique
borophenylicacid
kyselinafenylborita
phenyboronic
phenyl-boronicaci
phenyldihydroxyborane
t-500
usafbo-2
Phenyboronic acid Benzenebcronic acid
Benzenebcronic acid
[EINECS(EC#)]

202-701-9
[Molecular Formula]

C6H7BO2
[MDL Number]

MFCD00002103
[Molecular Weight]

121.93
[MOL File]

98-80-6.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

216-219 °C(lit.)
[mp ]

216-219 °C(lit.)
[Boiling point ]

265.9±23.0 °C(Predicted)
[density ]

1.13±0.1 g/cm3(Predicted)
[storage temp. ]

0-6°C
[pka]

8.83(at 25℃)
[form ]

Crystalline Powder
[color ]

White to off-white
[Water Solubility ]

10 g/L (20 ºC)
[Sensitive ]

Hygroscopic
[Detection Methods]

HPLC,NMR
[Merck ]

14,1068
[BRN ]

970972
[InChIKey]

HXITXNWTGFUOAU-UHFFFAOYSA-N
[Uses]

Phenyihoronic acid and its derivatives form complexes with polyol compounds such as saccharides and poly(vinyl alcohol) (PVA). Glucose-sensitive hydrogels can be prepared by using phenylhoronic acid as a ligand for target glucose. For example. a copolymer with phenylboronic acid moieties was synthesized by copolymerization of 4V-vinyl-2-pyrrolidone (NVP) and 3-(acryl- amide)phcnylhoronic acid (PBA). The complexes between the NVP-PBA copolymer and PVA enable us to construct glucose-sensitive insulin release systems because the complexes dissociated in response to the glucose concentration.
This phenylboronic acid is soluble in water and the coupling reaction can even be carried out in water. It is compatible with many organic substituents such as esters, ketones, alcohols, etc. which would prohibit the use of Grignard reagents in coupling reactions.

[CAS DataBase Reference]

98-80-6(CAS DataBase Reference)
[EPA Substance Registry System]

98-80-6(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi,N
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

CY8575000
[Hazard Note ]

Harmful
[TSCA ]

Yes
[HazardClass ]

IRRITANT, MOISTURE SENSITIVE
[HS Code ]

29310095
[Toxicity]

LD50 orl-rat: 740 mg/kg 14KTAK -,693,64
Raw materials And Preparation ProductsBack Directory
【Preparation Products】

Dimidium bromide-->3-AMINOBIPHENYL-->3-PHENYLBENZYLAMINE-->4-Aminobiphenyl-->1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid-->3-AMINO-6-PHENYLPYRIDAZINE-->2-Aminophenylboronic acid-->4-Bromophenoxybenzene-->4-Biphenylacetic acid-->4-Iodobiphenyl-->Triphenylene-->p-Terphenyl-->Cyclopropyl phenyl ketone-->2,4,6-Tribromophenol-->1,3-Diphenylbenzene-->Diisopropanolamine-->2-Anilinoethanol
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Benzeneboronic acid(98-80-6).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Synthesis Reference(s)]

Organic Syntheses, Coll. Vol. 4, p. 68, 1963
The Journal of Organic Chemistry, 49, p. 5237, 1984 DOI: 10.1021/jo00200a045
[Safety Profile]

Poison by intravenous andintraperitoneal routes. Moderately toxic by ingestion.Mildly toxic by skin contact. When heated to decomposition it emitsacrid smoke and irritating fumes.
Spectrum DetailBack Directory
[Spectrum Detail]

Phenylboronic acid(98-80-6) 13C NMR
Phenylboronic acid(98-80-6) IR2
Phenylboronic acid(98-80-6) IR1
Phenylboronic acid(98-80-6) 1H NMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Phenylboronic acid, 98+%(98-80-6)
[Alfa Aesar]

Benzeneboronic acid, 98+%(98-80-6)
[Sigma Aldrich]

98-80-6(sigmaaldrich)
[TCI AMERICA]

Phenylboronic Acid  (contains varying amounts of Anhydride)(98-80-6)
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