N-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

HCID 11957892CAS 845870-55-5

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Grundinformationen

Standard-SMILES: CNc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIKey: WWGNYCWKFZIQQS-UHFFFAOYSA-N
Summenformel: C13H20BNO2
Durchschnittliche Molmasse: 233,12 g/mol
Monoisotopische Masse: 233,158709

Namen und Bezeichner

Bevorzugter Name: N-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
IUPAC: N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Englischer Name: 4-(N-METHYLAMINO)PHENYLBORONIC ACID, PINACOL ESTER
Summenformel: C13H20BNO2
Molmasse: 233.11

Namen und Synonyme

N-METHYL-4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINERefChem:830471691-769-7845870-55-5N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline4-(N-METHYLAMINO)PHENYLBORONIC ACID, PINACOL ESTER4-(N-Methylamino)phenylboronic acid pinacol esterMFCD067956684-(methylamino)phenylboronic acid pinacol esterBenzenamine, N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-SCHEMBL4841284-(methylamino)phenylboronic acid pinacol ester, 97%

Weitere Namen anzeigen

N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine

(4-(METHYLAMINO)PHENYL)BORONIC ACID PINACOL ESTERDTXSID20474709WWGNYCWKFZIQQS-UHFFFAOYSA-NAKOS015960129methyl-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amineFM32978NCGC00662619-01AS-18796

Datenbank-Bezeichner

CAS: 845870-55-5
PubChem CID: 11957892
DTXSID: DTXSID20474709
EC Number: 691-769-7

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 30,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 17
Formalladung: 0
Komplexität: 257

Physikochemische Eigenschaften

Siedepunkt: 341.7 · 341.7±25.0 °C(Predicted)
Dichte: 1.01 · 1.01±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 4.16 · 4.16±0.42(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 3 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.