Diphenyl-(4-(4,4,5,5-tetramethyl-(1,3,2)dioxaborolan-2-yl)-phenyl)-amine

HCID 11639307CAS 267221-88-5

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Grundinformationen

Standard-SMILES: CC1(C)OB(c2ccc(N(c3ccccc3)c3ccccc3)cc2)OC1(C)C
InChIKey: VKSWIFGDKIEVFZ-UHFFFAOYSA-N
Summenformel: C24H26BNO2
Durchschnittliche Molmasse: 371,3 g/mol
Monoisotopische Masse: 371,20565947

Namen und Bezeichner

Bevorzugter Name: Diphenyl-(4-(4,4,5,5-tetramethyl-(1,3,2)dioxaborolan-2-yl)-phenyl)-amine
IUPAC: N,N-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Englischer Name: N,N-Diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Summenformel: C24H26BNO2
Molmasse: 371.28

Namen und Synonyme

Diphenyl-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amineDiphenyl-(4-(4,4,5,5-tetramethyl-(1,3,2)dioxaborolan-2-yl)-phenyl)-amineRefChem:588867805-569-6267221-88-5N,N-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline4-(Diphenylamino)phenylboronic acid pinacol esterMFCD131957704-(Diphenylamino)benzeneboronic acid pinacol esterDiphenyl-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]amineSY1018724-(Diphenylamino)phenylboronic acid pinacol ester, 95%

Weitere Namen anzeigen

Triphenylamine-4-boronic Acid Pinacol Ester4-Boronic acid triphenylamine pinacol ester4-(diphenylamino)phenylboronic pinacol ester4-(Diphenylamino)phenylboronic acid, pinacol esterN,N-Diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl-N-phen[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]diphenylamine

SCHEMBL1702020DTXSID40469874VKSWIFGDKIEVFZ-UHFFFAOYSA-N2-[4-(Diphenylamino)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneAKOS016339779AS-2448DA-07515CS-0130477

Datenbank-Bezeichner

CAS: 267221-88-5
PubChem CID: 11639307
DTXSID: DTXSID40469874
EC Number: 805-569-6
Nikkaji: J1.286.339J

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 21,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 28
Formalladung: 0
Komplexität: 469

Physikochemische Eigenschaften

Schmelzpunkt: 93 · 93-98 °C
Siedepunkt: 495.8 · 495.8±28.0 °C(Predicted)
Dichte: 1.12 · 1.12±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: powder to crystal
pka: -3.32 · -3.32±0.60(Predicted)
Farbe: White to Light yellow
InChI: InChI=1S/C24H26BNO2/c1-23(2)24(3,4)28-25(27-23)19-15-17-22(18-16-19)26(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18H,1-4H3
InChIKey: VKSWIFGDKIEVFZ-UHFFFAOYSA-N
SMILES: C1(N(C2=CC=CC=C2)C2=CC=CC=C2)=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2931900090
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-(Diphenylamino)phenylboronic acid pinacol ester may be used to synthesize 4-(2,2′ -bithiophen-5-yl)- 5-phenylpyrimidine for potential usage in the development of sensing devices for the detection of nitroaromatic explosives. It can also be used in the synthesis of oligothiophene (electron donating group) for the fabrication of dye sensitized solar cells (DSSCs).