Benzolboronsäure

Phenylboronic Acid

HCID 66827CAS 98-80-6
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Grundinformationen

Standard-SMILES
OB(O)c1ccccc1
InChIKey
HXITXNWTGFUOAU-UHFFFAOYSA-N
Summenformel
C6H7BO2
Durchschnittliche Molmasse
121,93 g/mol
Monoisotopische Masse
122,0539096

Namen und Bezeichner

Bevorzugter Name
Phenylboronic Acid
IUPAC
phenylboronic acid
Lokaler Name
Benzolboronsäure
Englischer Name
Phenylboronic acid
Summenformel
C6H7BO2
Molmasse
121.93

Namen und Synonyme

Phenylboronic acid98-80-6Benzeneboronic acidBoronic acid, phenyl-DihydroxyphenylboranePhenyldihydroxyboraneBorophenylic acidPHENYL BORONIC ACIDDihydroxy(phenyl)boraneAcide phenylboriqueKyselina fenylboritaPhenylboron dihydroxide
Weitere Namen anzeigen
PhB(OH)2PHENYLBORIC ACIDphenyboronicCAS:98-80-6phenyl-boronicaciPhenylboranic acidPhenylboronic Acid (contains varying amounts of Anhydride)
L12H7B02G5NSC-66487DTXSID9059179CHEBI:44923RefChem:562986DTXCID6049062202-701-9phenylboronate

Datenbank-Bezeichner

CAS
98-80-6
PubChem CID
66827
DTXSID
DTXSID9059179
ChEMBL
CHEMBL21485
ChEBI
CHEBI:44923
UNII
L12H7B02G5
EC Number
202-701-9
Nikkaji
J119.652I

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
40,5 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Boiling Point219 °C @760 [mm Hg]
Vapor Pressure0.00000856 [mmHg]
Physical DescriptionSolid; [Merck Index] White to off-white hygroscopic solid; [Acros Organics MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
216 · 216-219 °C(lit.)
Siedepunkt
265.9 · 265.9±23.0 °C(Predicted)
Dichte
1.13 · 1.13±0.1 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand
Crystalline Powder

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (96.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 208 reports by companies from 17 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Boronic acid, phenyl-

Benzeneboronic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummarySpontaneously converts to benzene boronic anhydride (C6-H5-B-O) in dry air; [Merck Index] An irritant; Harmful by ingestion; [Acros Organics MSDS] See Boron.
Hazard Classes and CategoriesAcute Tox. 4 (96.6%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

2.2 [mg/m3]

24 [mg/m3]

150 [mg/m3]

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: Boronic acid, phenyl-

Benzeneboronic acid: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29310095
RTECS-Nr.
CY8575000
risk_code
22-36/37/38-20/21/22
Toxizität
LD50 orl-rat: 740 mg/kg 14KTAK -,693,64

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBoronic acid, B-phenyl-: ACTIVE
Anwendungen · 2 Einträge

BeschreibungDie Phenylboronsäure bildet farblose, wasserunlösliche Kristalle. Die Verbindung besitzt nur wissenschaftliches Interesse.

VerwendenPhenylboronic Acid is a compound used in organic synthesis of various pharmaceutical goods. Phenylboronic acid (PBA) and its derivatives can bind sugars and other diol compounds to form cyclic boronate esters. These esters bear negative charges. Due to this reaction, sugars can be detected by means of electrochemical and optical techniques. PBA modified electrodes have been constructed as reagentless electrochemical sensors. There, PBA is absorbed on the electrode surface either as a self- assembled monolayer film ore a polymer thin film. Basically, for optical detection techniques for the detection of sugars, PBA is modified with a chromophore that should change its properties on reaction with a sugar. Reaction of Phenylboronic acid with a sugar

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]

Ergänzende Hinweise

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

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