4-Methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine

HCID 2795301CAS 519054-54-7

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Grundinformationen

Standard-SMILES: CN1CCOc2cc(B3OC(C)(C)C(C)(C)O3)ccc21
InChIKey: QRAOZQGIUIDZQZ-UHFFFAOYSA-N
Summenformel: C15H22BNO3
Durchschnittliche Molmasse: 275,15 g/mol
Monoisotopische Masse: 275,1692737

Namen und Bezeichner

Bevorzugter Name: 4-Methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
IUPAC: 4-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1,4-benzoxazine
Englischer Name: 4-METHYL-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3,4-DIHYDRO-2H-1,4-BENZOXAZINE
Summenformel: C15H22BNO3
Molmasse: 275.15

Namen und Synonyme

519054-54-74-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazineDTXSID90383617RefChem:99814DTXCID10334641800-775-24-METHYL-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE4-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1,4-benzoxazineMFCD041153774-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YLBORONIC ACID PINACOL ESTER2H-1,4-Benzoxazine, 3,4-dihydro-4-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-BENZOXAZINE

Weitere Namen anzeigen

4-Methyl-7-(42-dioxaborolan-2-yl)-34-Methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ylboronic acid picol ester4-Methyl-7-(4,4,5,5-tetramethyl-1,3,2- dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-

4-DIHYDRO-2H-1SCHEMBL426125QRAOZQGIUIDZQZ-UHFFFAOYSA-NUVA054544-Methyl-3,4-dihydro-2H-benzo[1,4]oxazine-7-boronic Acid Pinacol EsterAKOS024260454AB19951AS-55106

Datenbank-Bezeichner

CAS: 519054-54-7
PubChem CID: 2795301
DTXSID: DTXSID90383617
EC Number: 800-775-2

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 30,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 20
Formalladung: 0
Komplexität: 358

Physikochemische Eigenschaften

Schmelzpunkt: 144 °C · 144 °C
Siedepunkt: 400.8 · 400.8±45.0 °C(Predicted)
Dichte: 1.11 · 1.11±0.1 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 5.39 · 5.39±0.20(Predicted)
CAS Datenbank: 519054 · 519054-54-7

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning 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 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 2 reports by companies from 2 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.