2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile
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Grundinformationen
- CAS
396131-82-1- Standard-SMILES
CC1(C)OB(c2cccc(CC#N)c2)OC1(C)C- InChIKey
LIWPKYSGWSFPEE-UHFFFAOYSA-N- Summenformel
- C14H18BNO2
- Durchschnittliche Molmasse
- 243,11 g/mol
- Monoisotopische Masse
- 243,143059
Namen und Bezeichner
- Bevorzugter Name
- 2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile
- IUPAC
- 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
- Englischer Name
- (3-CYANOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER
- Summenformel
- C14H18BNO2
- Molmasse
- 243.11
Namen und Synonyme
2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrileRefChem:454892691-727-8396131-82-13-Cyanomethylphenylboronic acid, pinacol esterMFCD021794583-(CYANOMETHYL)BENZENEBORONIC ACID PINACOL ESTER[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]ACETONITRILE(3-CYANOMETHYLPHENYL)BORONIC ACID, PINACOL ESTERAB111702-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
Weitere Namen anzeigen
[3-(4,4,5,5-tetrame3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-Benzeneacetonitrile[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile(SALTDATA: FREE)
CS-01744503-(Cyanomethyl)phenylboronic acid, pinacol ester, AldrichCPRBENZENEACETONITRILE, 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile3-(Cyanomethyl)phenylboronic acid pinacol esterA824649SCHEMBL762075(3-(CYANOMETHYL)PHENYL)BORONIC ACID PINACOL ESTER
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 42,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 342
Physikochemische Eigenschaften
- Schmelzpunkt
- 44 · 44-48°C
- Siedepunkt
- 379.5 · 379.5±25.0 °C(Predicted)
- Dichte
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- solid
- Farbe
- Beige
- Wasserlöslichkeit
- Slightly soluble in water.
- InChI
- 1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)12-7-5-6-11(10-12)8-9-16/h5-7,10H,8H2,1-4H3
- InChIKey
- LIWPKYSGWSFPEE-UHFFFAOYSA-N
- SMILES
- B2(OC(C(O2)(C)C)(C)C)c1cc(ccc1)CC#N
- CAS Datenbank
- 396131 · 396131-82-1
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 (50%): 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 (50%): 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 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- 3439
- hs_code
- 2931900090
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
Chemie und Industrie
Anwendungen
Verwenden3-(Cyanomethyl)benzeneboronic acid pinacol ester is used as pharmaceutical intermediate.
Anbieter44 Anbieter
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
上海西浦化工有限公司+86 (21) 6715-7650 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
湖州澄泓生物技术有限公司13626726938 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
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