Dibenzofuran-4-boronic acid

HCID 2734328

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Grundinformationen

CAS: 100124-06-9
Standard-SMILES: OB(O)c1cccc2c1oc1ccccc12
InChIKey: ZXHUJRZYLRVVNP-UHFFFAOYSA-N
Summenformel: C12H9BO3
Durchschnittliche Molmasse: 212,01 g/mol
Monoisotopische Masse: 212,06447455

Namen und Bezeichner

Bevorzugter Name: Dibenzofuran-4-boronic acid
IUPAC: dibenzofuran-4-ylboronic acid
Englischer Name: Dibenzofuran-4-boronic acid
Summenformel: C12H9BO3
Molmasse: 212.01

Namen und Synonyme

Dibenzofuran-4-boronic acid100124-06-9DTXSID40370219RefChem:337253DTXCID30321255672-293-9dibenzo[b,d]furan-4-ylboronic acid4-Dibenzofuranboronic acid4-(Dibenzofuranyl)Boronic Aciddibenzofuran-4-ylboronic acidBoronic acid, B-4-dibenzofuranyl-MFCD00092336

Weitere Namen anzeigen

DBF-BD2420G1AKOS BRN-00854-(DibenzofuranyLTIMTEC-BB SBB003426RARECHEM AH PB 0052

dibenzo(b,d)furan-4-ylboronic acid4-dibenzofuranylboronic acidBoronic acid, 4-dibenzofuranyl-4-dibenzofurylboronic acidDibenzofuran-4-boronicacidBoronic acid, B-4-dibenzofuranyl-;4-Dibenzofuranboronic acidFRBA4-dibenzofuran boronic acid

Datenbank-Bezeichner

CAS: 100124-06-9
PubChem CID: 2734328
DTXSID: DTXSID40370219
EC Number: 672-293-9
Nikkaji: J2.235.031E

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 53,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 16
Formalladung: 0
Komplexität: 259

Physikochemische Eigenschaften

Schmelzpunkt: 286 · 286-291 °C (lit.)
Siedepunkt: 438.5 · 438.5±37.0 °C(Predicted)
Dichte: 1.34 · 1.34±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 8.04 · 8.04±0.30(Predicted)
Aggregatzustand: powder
Farbe: white to off-white
BRN: 1645426 · 1645426
InChI: InChI=1S/C12H9BO3/c14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-7,14-15H
InChIKey: ZXHUJRZYLRVVNP-UHFFFAOYSA-N
SMILES: B(C1=C2C(=CC=C1)C1=CC=CC=C1O2)(O)O
CAS Datenbank: 100124 · 100124-06-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: No
hs_code: 29321900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-24/25
hazard_class: IRRITANT
Speicherklasse: 13 - Non Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenDibenzofuran-4-boronic acid is a water-soluble boronic acid, and the boronic acid molecule is a very useful functional group for the preparation of glycosensors. Water-soluble boronic acids that change their fluorescence properties upon binding to sugars are particularly useful as reporter units for carbohydrate fluorescence sensors. Dibenzofuran-4-boronic acid displays distinctive fluorescence changes at three wavelengths when bound to sugars under near-physiological conditions[1].