(3-hydroxyphenyl)boronic Acid

HCID 2734359CAS 87199-18-6

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Grundinformationen

Standard-SMILES: OB(O)c1cccc(O)c1
InChIKey: WFWQWTPAPNEOFE-UHFFFAOYSA-N
Summenformel: C6H7BO3
Durchschnittliche Molmasse: 137,93 g/mol
Monoisotopische Masse: 138,04882448

Namen und Bezeichner

Bevorzugter Name: (3-hydroxyphenyl)boronic Acid
IUPAC: (3-hydroxyphenyl)boronic acid
Englischer Name: 3-Hydroxyphenylboronic acid
Summenformel: C6H7BO3
Molmasse: 137.93

Namen und Synonyme

87199-18-6(3-hydroxyphenyl)boronic AcidWFWQWTPAPNEOFE-UHFFFAOYSA-RefChem:400283677-211-5InChI=1/C6H7BO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8-10H3-Hydroxyphenylboronic acid3-Hydroxybenzeneboronic acidMFCD01074603(3-hydroxyphenyl)boronicAcid3-hydroxy-phenylboronic acid3-hydroxyphenyl boronic acid

Weitere Namen anzeigen

AKOS BRN-01823-boronophenolRARECHEM AH PB 02213-Hydroxyphenylboron3-Hydroxyphenylboronic3-hydroxyphenylboric acidN-fluorodiphenylsulfonamideM-HYDROXYPHENYLBORONIC ACID

3-hydroxyphenyl-boronic acid3-hydroxy phenyl boronic acid(3-hydroxyphenyl) boronic acidCHEMBL2146990M-HYDROXYBENZENEBORONIC ACIDCS-W002734H1185EN300-119261

Datenbank-Bezeichner

CAS: 87199-18-6
PubChem CID: 2734359
DTXSID: DTXSID90370249
ChEMBL: CHEMBL2146990
EC Number: 677-211-5
Nikkaji: J1.927.227C

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 60,7 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 107

Physikochemische Eigenschaften

Schmelzpunkt: 210 · 210-213 °C (dec.) (lit.)
Siedepunkt: 370 · 370.0±44.0 °C(Predicted)
Dichte: 1.32 · 1.32±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Crystalline Powder, Crystals and/or Chunks
pka: 1 · pK1:8.55;pK2:10.84 (25°C)
Farbe: Pink to gray to tan
BRN: 3240771 · 3240771
InChI: InChI=1S/C6H7BO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8-10H
InChIKey: WFWQWTPAPNEOFE-UHFFFAOYSA-N
SMILES: B(C1=CC=CC(O)=C1)(O)O
CAS Datenbank: 87199 · 87199-18-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 33.3% (6 of 18) of reports.

Warning

H315 (61.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 18 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (61.1%)

Sicherheitsdaten

wgk: 3
hs_code: 29319090
risk_code: 36/37/38-22
hazard_code: Xi
safety_code: 37/39-26-36/37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Hydroxyphenylboronic acid (3-HPBA) can be used as a reagent: In Suzuki-Miyaura coupling reactions with aryl halides for the formation of C-C bond in the presence of Pd catalyst.To synthesize boron/nitrogen-doped polymer nano/microspheres by hydrothermal polymerization with formaldehyde and ammonia. To prepare carbon quantum dots based on 3-HPBA as selective fructose sensor. In the development of modified electrodes for electrochemical biosensors.