Benzolboronsäure
Phenylboronic Acid
Grundinformationen
- CAS
98-80-6- Standard-SMILES
OB(O)c1ccccc1- InChIKey
HXITXNWTGFUOAU-UHFFFAOYSA-N- Summenformel
- C6H7BO2
- Durchschnittliche Molmasse
- 121,93 g/mol
- Monoisotopische Masse
- 122,0539096
Überblick
Phenylboronic acid is a member of boronic acids. It is functionally related to a boronic acid.
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)
phenylboronateL12H7B02G5NSC-66487DTXSID9059179CHEBI:44923RefChem:562986DTXCID6049062202-701-9
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
- Formalladung
- 0
- Komplexität
- 79,1
Experimentelle und physikochemische Eigenschaften
Chemical ClassesMetals -> Metalloid Compounds (Boron)
DrugsPharmaceuticals -> Listed in ZINC15
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
- pka
- 8.83 · 8.83(at 25℃)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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.
Gefahrenhinweise
Regulatory Information
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)
2.2 [mg/m3]
24 [mg/m3]
150 [mg/m3]
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
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
Nachgelagerte Produkte
Zugehörige Reaktionen
4.669
Notizen zur Verbindung
Wird geladen…