5-Methoxycarbonyl-2-methylphenylboronic acid pinacol ester
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Grundinformationen
- CAS
882679-40-5- Standard-SMILES
COC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1- InChIKey
HAPIXNBOBZHNCA-UHFFFAOYSA-N- Summenformel
- C15H21BO4
- Durchschnittliche Molmasse
- 276,14 g/mol
- Monoisotopische Masse
- 276,1532893
Namen und Bezeichner
- Bevorzugter Name
- 5-Methoxycarbonyl-2-methylphenylboronic acid pinacol ester
- IUPAC
- methyl 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
- Englischer Name
- Methyl 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
- Summenformel
- C15H21BO4
- Molmasse
- 276.14
Namen und Synonyme
5-Methoxycarbonyl-2-methylphenylboronic acid pinacol esterRefChem:536725690-925-1882679-40-5METHYL 4-METHYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATEMFCD115205305-(Methoxycarbonyl)-2-methylphenylboronic acid pinacol esterMethyl 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2- dioxaborolan-2-yl) benzoateSCHEMBL960031DTXSID90682238HAPIXNBOBZHNCA-UHFFFAOYSA-NAKOS015891571
Weitere Namen anzeigen
Methyl4-methyl-3-(4,4,5,5-tetramethyl-Methyl 4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan2-Methyl-5-(methoxycarbonyl)phenylboronic acid pinacol esterMethyl4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl2-Methyl-5-(methoxycarbonyl)benzeneboronic acid pinacol ester5-(Methoxycarbonyl)-2-methylphenylboronic acid pinacol ester, 95%,(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(5-methoxycarbonyl-2-methylphenyl)borinic acidBenzoic acid, 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 44,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 364
Physikochemische Eigenschaften
- Siedepunkt
- 383.1 · 383.1±35.0 °C(Predicted)
- Dichte
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- Aggregatzustand
- solid
- InChI
- 1S/C15H21BO4/c1-10-7-8-11(13(17)18-6)9-12(10)16-19-14(2,3)15(4,5)20-16/h7-9H,1-6H3
- InChIKey
- HAPIXNBOBZHNCA-UHFFFAOYSA-N
- SMILES
- CC(O1)(C)C(C)(C)OB1C2=C(C)C=CC(C(OC)=O)=C2
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 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): 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 (66.7%)；Eye Irrit. 2A (66.7%)；Acute Tox. 4 (33.3%)；STOT SE 3 (66.7%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2931900090
- Speicherklasse
- 11 - Combustible Solids
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