1,3-Dioctyl-2-thiourea
Grundinformationen
- CAS
109-40-0- Standard-SMILES
CCCCCCCCNC(=S)NCCCCCCCC- InChIKey
RNGRBOULPSEYNL-UHFFFAOYSA-N- Summenformel
- C17H36N2S
- Durchschnittliche Molmasse
- 300,5 g/mol
- Monoisotopische Masse
- 300,25992033
Namen und Bezeichner
- Bevorzugter Name
- 1,3-Dioctyl-2-thiourea
- IUPAC
- 1,3-dioctylthiourea
- Englischer Name
- 1,3-DIOCTYL-2-THIOUREA
- Summenformel
- C17H36N2S
- Molmasse
- 300.55
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
109-40-0、34853-57-1- PubChem CID
- 2758677
- DTXSID
DTXSID00910953- EC Number
- 654-518-2、674-243-1
- Nikkaji
- J56.146K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,8
- Polarare Oberfläche (TPSA)
- 56,2 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 14
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 187
Physikochemische Eigenschaften
- Schmelzpunkt
- 53 · 53-55°C
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P264, P270, P273, P301+P317, P330, 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.;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 Categories
Acute Tox. 4 (100%);Aquatic Chronic 4 (100%)
Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (100%)
Sicherheitsdaten
- hazard_class
- IRRITANT
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