Grundinformationen
- Standard-SMILES
CN1CCN(C(=O)Cl)CC1- InChIKey
FBAIGEMWTOSCRU-UHFFFAOYSA-N- Summenformel
- C6H11ClN2O
- Durchschnittliche Molmasse
- 162,62 g/mol
- Monoisotopische Masse
- 162,05599065
Namen und Bezeichner
- Bevorzugter Name
- 4-Methyl-1-piperazinecarbonyl chloride
- IUPAC
- 4-methylpiperazine-1-carbonyl chloride
- Englischer Name
- 4-Methylpiperazine-1-carbonyl chloride
- Summenformel
- C6H11ClN2O
- Molmasse
- 162.62
Namen und Synonyme
4-Methyl-1-piperazinecarbonyl chlorideRefChem:524959628-318-04-methylpiperazine-1-carbonyl Chloride39539-66-71-Piperazinecarbonyl chloride, 4-methyl-MFCD013205094-Methyl-piperazine-1-carbonyl chloride4-methylpiperazinecarbonyl chloride1-chlorocarbonyl-4-methylpiperazine4-Methylpierazine-1-carbonylchloride1-chlorocarbonyl-4-methyl-piperazine
Weitere Namen anzeigen
SURI-006Zopiclone Impurity 94-METHYLPIPERZINE-1-CARBONYL CHLORIDE
4-Methylpiperazine-1-carbonylchlorideMETHYL PIPERAZINE CARBAMOYL CHLORIDE4-METHYL-1-CHLOROCARBONYL PIPERAZINEWVQ4QV36ETSCHEMBL19486DTXSID303885001-chlorocarbonyl-4methylpiperazine1-methyl-4-chloroformyl-piperazine
Datenbank-Bezeichner
- CAS
39539-66-7- PubChem CID
- 3016935
- DTXSID
DTXSID30388500- UNII
- WVQ4QV36ET
- EC Number
- 628-318-0
- Nikkaji
- J323.125I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 23,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 132
Physikochemische Eigenschaften
- Schmelzpunkt
- 225 · 225-228 °C(lit.)
- Siedepunkt
- 278 · 278-279 °C(lit.)
- Dichte
- 1.2 g/mL · 1.200 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.4980(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- Liquid
- pka
- 6.61 · 6.61±0.10(Predicted)
- Farbe
- Colorless to brown
- InChI
- 1S/C6H11ClN2O/c1-8-2-4-9(5-3-8)6(7)10/h2-5H2,1H3
- InChIKey
- FBAIGEMWTOSCRU-UHFFFAOYSA-N
- SMILES
- CN1CCN(CC1)C(Cl)=O
- CAS Datenbank
- 39539 · 39539-66-7(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
Chemie und Industrie
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