2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
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Grundinformationen
- CAS
1220219-11-3- Standard-SMILES
Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N- InChIKey
WXENCUOINPORPY-UHFFFAOYSA-N- Summenformel
- C14H18BNO2
- Durchschnittliche Molmasse
- 243,11 g/mol
- Monoisotopische Masse
- 243,143059
Namen und Bezeichner
- Bevorzugter Name
- 2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- IUPAC
- 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- Englischer Name
- 3-Cyano-4-methylphenylboronic acid, pinacol ester
- Summenformel
- C14H18BNO2
- Molmasse
- 243.11
Namen und Synonyme
1220219-11-32-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileDTXSID20681916RefChem:263492DTXCID20632665968-272-13-Cyano-4-methylphenylboronic acid, pinacol esterMFCD180877063-Cyano-4-methylphenylboronic acid pinacol esterBenzonitrile, 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-SCHEMBL13089217AKOS022176094
Weitere Namen anzeigen
AT16358BS-21241SY211508DB-366390CS-0134575EN300-317550F618768Z2044788601
Datenbank-Bezeichner
- CAS
1220219-11-3- PubChem CID
- 53216769
- DTXSID
DTXSID20681916- EC Number
- 968-272-1
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 42,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 355
Physikochemische Eigenschaften
- Siedepunkt
- 354.8 · 354.8±35.0 °C(Predicted)
- Dichte
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
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 (100%): 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 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 2931900090
Chemie und Industrie
Darstellung
synthetische5-Bromo-2-methylbenzonitrile (40 g, 204 mmol), bis(pinacolato)diboron (69.2 g, 306 mmol), potassium acetate (60 g, 612 mmol), PdCl2(dppf) (7.6 g, 20.8 mmol) and 1,4-dioxane (500 mL) were added in a 1 L single-neck flask, and the reaction mixture was heated to react at 100 ℃ for 2 hours. After completion of the reaction, the mixture was cooled to room temperature, then water (250 mL) was added. The mixture was extracted with ethyl acetate (3250 mL), and the organic layers were concentrated in vacuo to remove the solvent. The residue was separated by a silica gel column (petroleum ether: ethyl acetate = 30:1) to give 3-Cyano-4-methylphenylboronic acid, pinacol ester.
Anbieter22 Anbieter
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
湖南氩氡医药科技有限公司13764359345 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
南京代盟化工有限公司025-66800956 18800000000 · [email protected]
苏州市晨科生物科技有限公司18662408853 · [email protected]
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