9-Phenyl-9H-carbazole-3-boronic acid

HCID 51358450

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Grundinformationen

CAS: 854952-58-2
Standard-SMILES: OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIKey: JWJQEUDGBZMPAX-UHFFFAOYSA-N
Summenformel: C18H14BNO2
Durchschnittliche Molmasse: 287,1 g/mol
Monoisotopische Masse: 287,11175909

Namen und Bezeichner

Bevorzugter Name: 9-Phenyl-9H-carbazole-3-boronic acid
IUPAC: (9-phenylcarbazol-3-yl)boronic acid
Englischer Name: 9-Phenyl-9H-carbazol-3-ylboronic acid
Summenformel: C18H14BNO2
Molmasse: 287.12

Namen und Synonyme

9-phenyl-9H-carbazole-3-boronic acidRefChem:549890691-972-0854952-58-2(9-Phenyl-9H-carbazol-3-yl)boronic acid9-Phenyl-9H-carbazol-3-ylboronic acid9-Phenyl-3-carbazoleboronic Acid(9-phenyl)carbazole-3-boronic acid(9-phenylcarbazol-3-yl)boronic acidB-(9-Phenyl-9H-carbazol-3-yl)boronic acid9-phenylcarbazole-3-boronic acidMFCD12196936

Weitere Namen anzeigen

3-BAPCPCZ-BOHPC-B(OH)2-3-carbazoL9-Phenyl-9H-carbazol-3-ylborN-phenyl-3-oxazole boric acid3-Borono-9-phenyl-9H-carbazole

N-phenylcarbazol-3-boronic acidSCHEMBL260470CS-W020553SY0226369-Phenylcarbazole-3-boronic acid (contains varying amounts of Anhydride)9-Phenylcarbazole-3-boronic Acid;9-Phenyl-3-carbazoleboronic acidN-phenylcarbazole-3-boronic acidBoronic acid, (9-phenyl-9H-carbazol-3-yl)-

Datenbank-Bezeichner

CAS: 854952-58-2
PubChem CID: 51358450
DTXSID: DTXSID90679966
EC Number: 691-972-0
Nikkaji: J2.361.172D

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 45,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 22
Formalladung: 0
Komplexität: 385

Physikochemische Eigenschaften

Schmelzpunkt: 263 °C · >263°C (dec.)
Siedepunkt: 466 · 466.0±51.0 °C(Predicted)
Dichte: 1.2 · 1.20
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly, Heated, Sonicated)
Aggregatzustand: Solid
pka: 8.85 · 8.85±0.30(Predicted)
Farbe: White to Off-White
Wasserlöslichkeit: Slightly soluble in water.
Stabilität: Hygroscopic
InChI: InChI=1S/C18H14BNO2/c21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-12,21-22H
InChIKey: JWJQEUDGBZMPAX-UHFFFAOYSA-N
SMILES: B(C1=CC2C3=C(N(C4=CC=CC=C4)C=2C=C1)C=CC=C3)(O)O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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, P317, 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.