1-tert-butyl 2-methyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-1,2-dicarboxylate
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Grundinformationen
- CAS
942070-38-4- Standard-SMILES
COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C(=O)OC(C)(C)C- InChIKey
IKRSLFIYLPMLIF-UHFFFAOYSA-N- Summenformel
- C17H26BNO6
- Durchschnittliche Molmasse
- 351,2 g/mol
- Monoisotopische Masse
- 351,1853177
Namen und Bezeichner
- Bevorzugter Name
- 1-tert-butyl 2-methyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-1,2-dicarboxylate
- IUPAC
- 1-O-tert-butyl 2-O-methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-1,2-dicarboxylate
- Englischer Name
- 1-BOC-2-(methoxycarbonyl)pyrrole-4-boronic acid,
- Summenformel
- C17H26BNO6
- Molmasse
- 351.2
Namen und Synonyme
1-tert-butyl 2-methyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-1,2-dicarboxylateRefChem:436608812-828-7942070-38-41-TERT-BUTYL 2-METHYL 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLE-1,2-DICARBOXYLATE1-BOC-2-(METHOXYCARBONYL)PYRROLE-4-BORONIC ACID, PINACOL ESTERMFCD118559741-(TERT-BUTYL) 2-METHYL 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLE-1,2-DICARBOXYLATE1-O-tert-butyl 2-O-methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-1,2-dicarboxylateSB640031-BOC-2-(methoxycarbonyl)pyrrole-4-boronic acid,1-tert-Butyl2-methyl4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-1,2-dicarboxylate
Weitere Namen anzeigen
1-(tert-Butoxycarbonyl)-5-(Methoxycarbonyl)-1H-pyrrol-3-ylboronic acid pinacol ester-1H-pyrrole-1,2-dicarboxylate1-BOC-2-(methoxycarbonyl)pyrrole-4-boronic1-Boc-5-(methoxycarbonyl)pyrrole-3-boronic Acid Pinacol Ester1-tert-Butyl 2-methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 76 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 526
Physikochemische Eigenschaften
- Schmelzpunkt
- 133 · 133-135 °C
- Siedepunkt
- 451.4 · 451.4±55.0 °C(Predicted)
- Dichte
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- crystalline powder
- pka
- -10.33 · -10.33±0.70(Predicted)
- Farbe
- White to off white
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, 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 3 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (33.3%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 2933998090
Chemie und Industrie
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Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
常州稀亚生物科技有限公司13775267187 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
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