7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene
Grundinformationen
- CAS
84030-20-6- Standard-SMILES
CN1CCCN2CCCN=C12- InChIKey
OEBXWWBYZJNKRK-UHFFFAOYSA-N- Summenformel
- C8H15N3
- Durchschnittliche Molmasse
- 153,22 g/mol
- Monoisotopische Masse
- 153,12659748
Namen und Bezeichner
- Bevorzugter Name
- 7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene
- IUPAC
- 1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
- Englischer Name
- 1,3,4,6,7,8-Hexahydro-1-methyl-2H-pyrimidol[1,2-a]pyrimidine
- Summenformel
- C8H15N3
- Molmasse
- 153.22
Namen und Synonyme
7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene1,3,4,6,7,8-Hexahydro-1-methyl-2H-pyrimido[1,2-a]pyrimidine1,3,4,6,7,8-Hexahydro-1-methyl-2H-pyrimido(1,2-a)pyrimidine2H-Pyrimido[1,2-a]pyrimidine, 1,3,4,6,7,8-hexahydro-1-methyl-EINECS 281-791-1DTXSID702329327-methyl-1,5,7-triazabicyclo(4.4.0)dec-5-ene2H-Pyrimido(1,2-a)pyrimidine, 1,3,4,6,7,8-hexahydro-1-methyl-RefChem:106326DTXCID00155423281-791-1OEBXWWBYZJNKRK-UHFFFAOYSA-N
Weitere Namen anzeigen
CATALYST MTBD7-Methyl-1,5,7-triazabicyclo[4.4.]dec-5-ene7-methyl-1,5,7-triazadicyclo[4.4.0]decyl-5-ene7-Methyl-1,5,7-triazabicyclo[4.4.0]decane-5-ene7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene>
84030-20-6MTBD1-Methyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidineMFCD000430041-Methyl-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidineS8JQ539BWX1-methyl-1H,2H,3H,4H,6H,7H,8H-[1,3]diazino[1,2-a]pyrimidine
Datenbank-Bezeichner
- CAS
84030-20-6- PubChem CID
- 123583
- DTXSID
DTXSID70232932- UNII
- S8JQ539BWX
- EC Number
- 281-791-1
- Nikkaji
- J267.465C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,1
- Polarare Oberfläche (TPSA)
- 18,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 176
Physikochemische Eigenschaften
- Siedepunkt
- 75 · 75-79 °C0.1 mm Hg(lit.)
- Dichte
- 1.067 g/mL · 1.067 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.537(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- pka
- 14.37 · 14.37±0.20(Predicted)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Yellow to Orange
- BRN
- 7635759 · 7635759
- InChI
- InChI=1S/C8H15N3/c1-10-5-3-7-11-6-2-4-9-8(10)11/h2-7H2,1H3
- InChIKey
- OEBXWWBYZJNKRK-UHFFFAOYSA-N
- SMILES
- C12=NCCCN1CCCN2C
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
This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.
Danger
H314 (97.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Corr. 1B (97.7%)
Sicherheitsdaten
- F
- 10
- wgk
- 3
- ridadr
- UN 3267 8/PG 2
- hs_code
- 29335990
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
Chemie und Industrie
Anwendungen
Verwenden7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene may be used in microwave-promoted, palladium-catalyzed C-N bond-forming reactions with aryl/heteroaryl nonaflates and amines. It may be used as strong base to investigate the podand solvents, tris(oxaalkyl)phenylsilanes and tris(oxaalkyl)phosphates.
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