Grundinformationen
- Standard-SMILES
CCc1cc(CC)cc(CC)c1- InChIKey
WJYMPXJVHNDZHD-UHFFFAOYSA-N- Summenformel
- C12H18
- Durchschnittliche Molmasse
- 162,27 g/mol
- Monoisotopische Masse
- 162,14085058
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 1,3,5-Triethylbenzene
- IUPAC
- 1,3,5-triethylbenzene
- Lokaler Name
- 1,3,5-Triethylbenzol
- Englischer Name
- 1,3,5-TRIETHYLBENZENE
- Summenformel
- C12H18
- Molmasse
- 162.27
Namen und Synonyme
1,3,5-TRIETHYLBENZENE102-25-0Benzene, 1,3,5-triethyl-02K328WWZQNSC-406584DTXSID30881228RefChem:72334DTXCID907867203-017-3MFCD00009261UNII-02K328WWZQEINECS 203-017-3
Weitere Namen anzeigen
1,3,5-triethyl-benzen1,3,5-TriethylSYM-TRIETHYLBENZENEGlycerol Impurity 541,3,5-trierhylbenzeneLABOTEST-BB LT004369841,3,5 threeethylbenzene1,3,5-Triethylbenzene >
NSC4065841,5-TriethylbenzeneNSC 406584AI3-04219Benzene,3,5-triethyl-1,3,5-triethyl-benzene1,3,5-Triethyl benzeneSCHEMBL147391
Datenbank-Bezeichner
- CAS
102-25-0- PubChem CID
- 7602
- DTXSID
DTXSID30881228- UNII
- 02K328WWZQ
- EC Number
- 203-017-3
- Nikkaji
- J110.674K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,3
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 81,4
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesDensity
Physikochemische Eigenschaften
- Schmelzpunkt
- -66 °C · -66 °C
- Siedepunkt
- 215 °C · 215 °C (lit.)
- Dichte
- 0.862 g/mL · 0.862 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.495(lit.)
- Flammpunkt
- 178 °F · 178 °F
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- Wasserlöslichkeit
- Insoluble in water. Soluble in alcohol, ether.
- BRN
- 2039481 · 2039481
- Henry's Law Constant
- 1 · 1.0×10-3 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000)
- InChI
- InChI=1S/C12H18/c1-4-10-7-11(5-2)9-12(6-3)8-10/h7-9H,4-6H2,1-3H3
- InChIKey
- WJYMPXJVHNDZHD-UHFFFAOYSA-N
- SMILES
- C1(CC)=CC(CC)=CC(CC)=C1
- CAS Datenbank
- 102 · 102-25-0(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · Benzene, 1,3,5-triethyl- (102-25-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, 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 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationBenzene, 1,3,5-triethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3082 9/PG 3
- hs_code
- 2902.90.9000
- risk_code
- 36/38
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- 9
- packing_group
- III
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzene, 1,3,5-triethyl-: ACTIVE
Anwendungen
Verwenden1,3,5-Triethylbenzene was used as a supramoelcular template to organize molecular-recognition elements. It was also used to synthesize a series of di- and trinucleating ligands.
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