1,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Grundinformationen
- CAS
1036991-40-8- Standard-SMILES
Cc1c(B2OC(C)(C)C(C)(C)O2)cnn1C- InChIKey
ZLIQCQOFVHSHPX-UHFFFAOYSA-N- Summenformel
- C11H19BN2O2
- Durchschnittliche Molmasse
- 222,09 g/mol
- Monoisotopische Masse
- 222,15395825
Namen und Bezeichner
- Bevorzugter Name
- 1,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- IUPAC
- 1,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
- Englischer Name
- 1,5-Dimethyl-1H-pyrazole-4-boronic acid,pinacol ester
- Summenformel
- C11H19BN2O2
- Molmasse
- 222.09
Namen und Synonyme
1036991-40-81,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleDTXSID50655322RefChem:73490DTXCID10606072687-722-51,5-DIMETHYL-1H-PYRAZOLE-4-BORONIC ACID,PINACOL ESTER1,5-Dimethyl-1H-pyrazole-4-boronic acid pinacol esterMFCD098641891,5-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole1,5-Dimethylpyrazole-4-boronic Acid Pinacol Ester
Weitere Namen anzeigen
1,5-DiMethyl-1H-pyrazol-4-ylboronic acid,pinacol ester1,5-Dimethyl-1H-pyrazole-4-boronic acid, pinacol ester 98%1,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)...1,5-Dimethyl-1H-pyrazole-4-boronic acid pinacol ester - [D14533]2-(1,5-Dimethyl-1H-pyrazol-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1,5-Dimethyl-1H-pyrazole-4-boronic acid,pinacol ester, AldrichCPRSCHEMBL627234(1,5-DIMETHYL-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER1,5-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazoleSBB019183STK695171AKOS005606422CS-W000784
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 36,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 267
Physikochemische Eigenschaften
- Schmelzpunkt
- 87 °C · 87 °C
- Siedepunkt
- 322.3 · 322.3±30.0 °C(Predicted)
- Dichte
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- Aggregatzustand
- powder to crystal
- pka
- 2.66 · 2.66±0.10(Predicted)
- Farbe
- White to Light yellow
- InChI
- 1S/C11H19BN2O2/c1-8-9(7-13-14(8)6)12-15-10(2,3)11(4,5)16-12/h7H,1-6H3
- InChIKey
- ZLIQCQOFVHSHPX-UHFFFAOYSA-N
- SMILES
- B2(OC(C(O2)(C)C)(C)C)c1c([n](nc1)C)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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- 2811
- hs_code
- 2933199090
- risk_code
- 25
- hazard_code
- T
- safety_code
- 45
- hazard_class
- 6.1
- packing_group
- Ⅲ
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 Oral
Chemie und Industrie
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter84 Anbieter
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
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