N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Grundinformationen
- CAS
171364-78-6- Standard-SMILES
CN(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1- InChIKey
DGMLJJIUOFKPKB-UHFFFAOYSA-N- Summenformel
- C14H22BNO2
- Durchschnittliche Molmasse
- 247,14 g/mol
- Monoisotopische Masse
- 247,1743591
Namen und Bezeichner
- Bevorzugter Name
- N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
- IUPAC
- N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
- Englischer Name
- 4-(N,N-Dimethylamino)phenylboronic acid, pinacol ester
- Summenformel
- C14H22BNO2
- Molmasse
- 247.14
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
171364-78-6- PubChem CID
- 2758659
- DTXSID
DTXSID60374436- EC Number
- 675-013-3
- Nikkaji
- J902.926E
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 21,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 280
Physikochemische Eigenschaften
- Schmelzpunkt
- 122 · 122-123°C
- Siedepunkt
- 347.1 · 347.1±25.0 °C(Predicted)
- Dichte
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- powder to crystal
- pka
- 4.66 · 4.66±0.24(Predicted)
- Farbe
- White to Light yellow
- InChI
- InChI=1S/C14H22BNO2/c1-13(2)14(3,4)18-15(17-13)11-7-9-12(10-8-11)16(5)6/h7-10H,1-6H3
- InChIKey
- DGMLJJIUOFKPKB-UHFFFAOYSA-N
- SMILES
- C1(N(C)C)=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- WGK 3
- ridadr
- UN2811
- hs_code
- 2931900090
- risk_code
- 36/37/38-43
- hazard_code
- Xi
- safety_code
- 26-36/37/39-36/37
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Skin Sens. 1
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