4-(Diphenylamino)phenylboronic Acid (contains varying amounts of Anhydride)

HCID 12166934

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Grundinformationen

CAS: 201802-67-7
Standard-SMILES: OB(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIKey: TWWQCBRELPOMER-UHFFFAOYSA-N
Summenformel: C18H16BNO2
Durchschnittliche Molmasse: 289,1 g/mol
Monoisotopische Masse: 289,12740915

Namen und Bezeichner

Bevorzugter Name: 4-(Diphenylamino)phenylboronic Acid (contains varying amounts of Anhydride)
IUPAC: [4-(N-phenylanilino)phenyl]boronic acid
Englischer Name: 4-(Diphenylamino)phenylboronic acid
Summenformel: C18H16BNO2
Molmasse: 289.14

Namen und Synonyme

4-(Diphenylamino)phenylboronic acid (contains varying amounts of Anhydride)RefChem:516021627-214-24-(Diphenylamino)phenylboronic acid201802-67-7[4-(N-phenylanilino)phenyl]boronic acid4-(Diphenylamino)benzeneboronic acid(4-(diphenylamino)phenyl)boronic acidTriphenylamine-4-boronic AcidBoronic acid, B-[4-(diphenylamino)phenyl]-MFCD06798117[4-(Diphenylamino)phenyl]boronic acid

Weitere Namen anzeigen

4-(N,N-Diphenylamino)-1-phenylboronic acid4-BATPACAS:201802-67-74-(Diphenylamino)phe4-borate triphenylamine4-(Dipheny|amino)pheny|boronic acid4-(N-phenylanilino)phenyl]boronicaci

C18H16BNO24-(N,N-Diphenylamino)phenylboronic acid4-Diphenylamino-phenylboronic acid4-(diphenylamino) phenylboronic acidAKOS015840670D3537Z32348067284-(Diphenylamino)phenylboronic Acid, (contains varying amounts of Anhydride)

Datenbank-Bezeichner

CAS: 201802-67-7
PubChem CID: 12166934
DTXSID: DTXSID80479033
EC Number: 627-214-2
Nikkaji: J2.177.452I

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 43,7 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 22
Formalladung: 0
Komplexität: 301

Physikochemische Eigenschaften

Schmelzpunkt: 110 · 110-115 °C (lit.)
Siedepunkt: 484.5 · 484.5±47.0 °C(Predicted)
Dichte: 1.24 · 1.24±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Toluene
pka: 8.71 · 8.71±0.17(Predicted)
Aggregatzustand: powder
Farbe: White to Dark green
InChI: InChI=1S/C18H16BNO2/c21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21-22H
InChIKey: TWWQCBRELPOMER-UHFFFAOYSA-N
SMILES: B(C1=CC=C(N(C2=CC=CC=C2)C2=CC=CC=C2)C=C1)(O)O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 86.4% (38 of 44) of all reports.

Warning

H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.