1-Propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
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Grundinformationen
- CAS
827614-69-7- Standard-SMILES
CCCn1cc(B2OC(C)(C)C(C)(C)O2)cn1- InChIKey
BKLGYJWLZWMIDO-UHFFFAOYSA-N- Summenformel
- C12H21BN2O2
- Durchschnittliche Molmasse
- 236,12 g/mol
- Monoisotopische Masse
- 236,1696081
Namen und Bezeichner
- Bevorzugter Name
- 1-Propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- IUPAC
- 1-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
- Englischer Name
- 1-Propyl-1H-pyrazole-4-boronic acid pinacol ester
- Summenformel
- C12H21BN2O2
- Molmasse
- 236.12
Namen und Synonyme
827614-69-71-Propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-Propyl-1H-pyrazole-4-boronic acid pinacol esterDTXSID80375182RefChem:436469DTXCID40326211632-901-51-propyl-1h-pyrazole-4-boronic acid, pinacol ester1-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazoleMFCD056638711-PROPYLPYRAZOLE-4-BORONIC ACID PINACOL ESTER1-propyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Weitere Namen anzeigen
1-Propyl-4-(41-Propyl-1H<1-Propyl-1H-pyrazole-4-boronic acidPinacol 1-propyl-4-pyrazolyl-boronate1-PROPYL- 4-PYRAZOLEBORONIC ACID PINACOL ESTER1-Propyl-1H-pyrazole-4-boronic acid picol ester1-(n-Propyl)-1H-pyrazole-4-boronic acid pinacol ester
1H-PYRAZOLE, 1-PROPYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-P22771-propyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole1-N-Propyl(d7)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole2241877-38-11-propyl-1h-pyrazole-4-boronic acid,pinacol esterSCHEMBL1331340SCHEMBL9280646
Datenbank-Bezeichner
- CAS
827614-69-7- PubChem CID
- 2760487
- DTXSID
DTXSID80375182- EC Number
- 632-901-5
- Nikkaji
- J2.138.997H
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 36,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 268
Physikochemische Eigenschaften
- Siedepunkt
- 85 · 85-87°C
- Dichte
- 0.996 g/mL · 0.996 g/mL at 25 °C
- Brechungsindex
- 20 · n20/D1.476
- Flammpunkt
- 43 ℃ · 43℃
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- clear liquid
- pka
- 2.11 · 2.11±0.10(Predicted)
- Farbe
- Colorless to Light orange to Yellow
- InChI
- InChI=1S/C12H21BN2O2/c1-6-7-15-9-10(8-14-15)13-16-11(2,3)12(4,5)17-13/h8-9H,6-7H2,1-5H3
- InChIKey
- BKLGYJWLZWMIDO-UHFFFAOYSA-N
- SMILES
- N1(CCC)C=C(B2OC(C)(C)C(C)(C)O2)C=N1
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
H226 (93%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 6 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 CategoriesFlam. Liq. 3 (93%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- 1993
- hs_code
- 2933199090
- risk_code
- 36/37/38-10
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- 3
- packing_group
- Ⅲ
Chemie und Industrie
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