2-Cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
Grundinformationen
- CAS
1375301-91-9- Standard-SMILES
CC1(C)OB(c2cnc(C3CC3)nc2)OC1(C)C- InChIKey
DVGWUOHIWJBHKY-UHFFFAOYSA-N- Summenformel
- C13H19BN2O2
- Durchschnittliche Molmasse
- 246,12 g/mol
- Monoisotopische Masse
- 246,15395825
Namen und Bezeichner
- Bevorzugter Name
- 2-Cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
- IUPAC
- 2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
- Englischer Name
- 2-cyclopropyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyriMidine
- Summenformel
- C13H19BN2O2
- Molmasse
- 246.11
Namen und Synonyme
1375301-91-92-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine2-CYCLOPROPYL-5-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDINEDTXSID90671662RefChem:471164DTXCID30622411810-351-9MFCD12032616Pyrimidine, 2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(CYCLOPROPYL)PYRIMIDINE-5-BORONIC ACID PINACOL ESTERCS-W018913DS-7248
Weitere Namen anzeigen
2-Cyclopropylpyrimidin-5-ylboronic acid pinacol ester2-Cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine - [C31856]
(2-CYCLOPROPYLPYRIMIDIN-5-YL)BORONIC ACID PINACOL ESTER2-Cyclopropylpyrimidine-5-boronic acid pinacol ester2-CyclopropylpyrimidAM805589SCHEMBL14919664DVGWUOHIWJBHKY-UHFFFAOYSA-NAKOS015919249MB11609
Datenbank-Bezeichner
- CAS
1375301-91-9- PubChem CID
- 45787283
- DTXSID
DTXSID90671662- EC Number
- 810-351-9
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 44,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 307
Physikochemische Eigenschaften
- Siedepunkt
- 355.5 · 355.5±15.0 °C(Predicted)
- Dichte
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Aggregatzustand
- solid
- pka
- 1.83 · 1.83±0.22(Predicted)
- InChI
- 1S/C13H19BN2O2/c1-12(2)13(3,4)18-14(17-12)10-7-15-11(16-8-10)9-5-6-9/h7-9H,5-6H2,1-4H3
- InChIKey
- DVGWUOHIWJBHKY-UHFFFAOYSA-N
- SMILES
- CC1(C)OB(C2=CN=C(C3CC3)N=C2)OC1(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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 19 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter52 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]
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Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
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Aladdin Scientific[email protected]
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Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
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Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
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