CAS 741709-63-7 2-Cyanopyridine-5-boronic acid pinacol ester (HCID 16414188)

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Grundinformationen

CAS: 741709-63-7
Standard-SMILES: CC1(C)OB(c2ccc(C#N)nc2)OC1(C)C
InChIKey: IXTBQKLZPOYJFJ-UHFFFAOYSA-N
Summenformel: C12H15BN2O2
Durchschnittliche Molmasse: 230,07 g/mol
Monoisotopische Masse: 230,1226579

Namen und Bezeichner

Bevorzugter Name: 2-Cyanopyridine-5-boronic acid pinacol ester
IUPAC: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile
Englischer Name: 2-CYANOPYRIDINE-5-BORONIC ACID PINACOL ESTER
Summenformel: C12H15BN2O2
Molmasse: 230.07

Namen und Synonyme

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile2-CYANOPYRIDINE-5-BORONIC ACID PINACOL ESTERRefChem:470764804-926-3741709-63-75-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE-2-CARBONITRILEMFCD066578255-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile(6-CYANOPYRIDIN-3-YL)BORONIC ACID PINACOL ESTER2-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine(2-CYANOPYRIDIN-5-YL)BORONIC ACID PINACOL ESTER2-cyanopyridine-5-boronic acid pinacole ester

Weitere Namen anzeigen

16 2-cyano pyridine -5-boronic acid2-CYANOPYRIDINE-5-BORONIC ACID PICOL ESTER2-Cyanopyridine-5-boronic acid pinacol este6-Cyano-3-pyridylboronic Acid Pinacol Ester6-Cyanopyridine-3-boronic acid pinacol ester2-(6-Cyano-3-pyridyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-Pyridinecarbonitrile, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-SCHEMBL182915SCHEMBL29478362DTXSID00585943IXTBQKLZPOYJFJ-UHFFFAOYSA-NRB20135-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine-2-carbonitrileAKOS015919980

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 55,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 17
Formalladung: 0
Komplexität: 332

Physikochemische Eigenschaften

Schmelzpunkt: 105 · 105-106℃
Siedepunkt: 370.7 · 370.7±27.0 °C(Predicted)
Dichte: 1.1 · 1.10
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: -0.33 · -0.33±0.12(Predicted)
Farbe: White to Light yellow to Light orange
Wasserlöslichkeit: Slightly soluble in water.
CAS Datenbank: 741709 · 741709-63-7

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (25%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (75%): 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, P305+P354+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 4 reports by companies from 4 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 (75%)；Acute Tox. 4 (25%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (25%)；Eye Irrit. 2A (75%)；Acute Tox. 4 (25%)；STOT SE 3 (75%)