(2,3-Dihydro-1-benzofuran-5-yl)boronic acid

HCID 2773380CAS 227305-69-3

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Grundinformationen

Standard-SMILES: OB(O)c1ccc2c(c1)CCO2
InChIKey: ZIXLJHSFAMVHPC-UHFFFAOYSA-N
Summenformel: C8H9BO3
Durchschnittliche Molmasse: 163,97 g/mol
Monoisotopische Masse: 164,06447455

Namen und Bezeichner

Bevorzugter Name: (2,3-Dihydro-1-benzofuran-5-yl)boronic acid
IUPAC: 2,3-dihydro-1-benzofuran-5-ylboronic acid
Englischer Name: 2,3-DIHYDROBENZOFURAN-5-BORONIC ACID
Summenformel: C8H9BO3
Molmasse: 163.97

Namen und Synonyme

2,3-dihydrobenzofuran-5-ylboronic Acid(2,3-dihydro-1-benzofuran-5-yl)boronic acidRefChem:394495640-479-92,3-Dihydrobenzofuran-5-boronic acid227305-69-32,3-dihydro-1-benzofuran-5-ylboronic acid(2,3-dihydrobenzofuran-5-yl)boronic acidMFCD026819792,3-DIHYDROBENZOFURAN-5-YL-5-BORONIC ACIDNCGC00249551-01Boronic acid, (2,3-dihydro-5-benzofuranyl)-

Weitere Namen anzeigen

AKOS BRN-0092BUTTPARK 95\50-595-Borono-2,3-dihydro-1-benzofuran2,3-DIHDROBENZOFURAN-5-BORONIC ACID2,3-Dihydrobenzofurane-5-boronicacid3-dihydrobenzofuran-5-yl-5-boronic acid

2,3-DIHYDROBENZOFURAN-5-BORONICACID2,3-dihydro2,3-dihydrobenzo[b]furan-5-ylboronic acidSCHEMBL88952,3-DIHYDROBENZO[B]FURAN-5-BORONIC ACIDDTXSID80945405SBB071080AKOS004116211

Datenbank-Bezeichner

CAS: 227305-69-3
PubChem CID: 2773380
DTXSID: DTXSID80945405
EC Number: 640-479-9
Nikkaji: J2.725.430F

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 49,7 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 162

Physikochemische Eigenschaften

Schmelzpunkt: 200 °C · 200 °C
Siedepunkt: 358.4 · 358.4±52.0 °C(Predicted)
Dichte: 1.29 · 1.29±0.1 g/cm3 (20 ºC 760 Torr)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 8.99 · 8.99±0.20(Predicted)
Farbe: White to Almost white
Wasserlöslichkeit: Slightly Soluble in water(2.6 g/L) (25°C).
CAS Datenbank: 227305 · 227305-69-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.