Grundinformationen
- Standard-SMILES
[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]- InChIKey
XDTMQSROBMDMFD-LBTWDOQPSA-N- Summenformel
- C6H12
- Durchschnittliche Molmasse
- 96,23 g/mol
- Monoisotopische Masse
- 96,16922134
Namen und Bezeichner
- Bevorzugter Name
- Cyclohexane-D12
- IUPAC
- 1,1,2,2,3,3,4,4,5,5,6,6-dodecadeuteriocyclohexane
- Lokaler Name
- [2H12]Cyclohexan
- Englischer Name
- Cyclohexane-d12
- Summenformel
- C6D12
- Molmasse
- 96.23
Namen und Synonyme
Cyclohexane-d12(2H12)Cyclohexane[2H12]cyclohexaneEINECS 217-077-3DTXSID80169624UN1145Deuterated cyclohexaneRefChem:129546DTXCID5092115217-077-3XDTMQSROBMDMFD-LBTWDOQPSA-N1735-17-7
Weitere Namen anzeigen
CycohexaneCyclohexaneD12>99.7%PerdeuterocyclohexaneCyclohexane-d12 NO.DODECADEUTEROCYCLOHEXANEBROMOBENZENE-500G(99.5%)CYCLOHEXANE-D12,99.7ATOM%DCYCLOHEXANE-D12 (D, 99.5%)
Cyclohexane D12 >99.5%CYCLOHEXANE-1,1,2,2,3,3,4,4,5,5,6,6-D121,1,2,2,3,3,4,4,5,5,6,6-dodecadeuteriocyclohexaneMFCD00044212Cyclohexane, d12Cyclohexane-d12 (reagent grade)Cyclohexane-d12, >=99.6 atom % DCyclohexane #
Datenbank-Bezeichner
- CAS
1735-17-7- PubChem CID
- 123129
- DTXSID
DTXSID80169624- EC Number
- 217-077-3
- Nikkaji
- J95.386E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,4
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 15,5
Experimentelle und physikochemische Eigenschaften
SolventsSolvents -> Aliphatics, Saturated (<C12)
Physical DescriptionLiquid; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 6.5 °C · 6.5°C
- Siedepunkt
- 80 · 80,7°C
- Dichte
- 0.893 g/mL · 0.893 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.421(lit.)
- Flammpunkt
- 1 °F · −1 °F
- storage temp.
- Flammables area
- Löslichkeit
- 55 mg/l · 55mg/l insoluble
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless
- Explosionsgrenze
- 1.2 · 1.2-8.3%(V)
- Wasserlöslichkeit
- Insoluble in water.
- BRN
- 1908842 · 1908842
- Stabilität
- Stable. Highly flammable. Readily forms explosive mixtures with air. Note low flash point. Protect from moisture. Incompatible with strong oxidizing agents.
- InChI
- InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2/i1D2,2D2,3D2,4D2,5D2,6D2
- InChIKey
- XDTMQSROBMDMFD-LBTWDOQPSA-N
- SMILES
- C1([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
- CAS Datenbank
- 1735 · 1735-17-7(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationCyclohexane-D12: 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.
Hazards SummaryAn irritant; High vapor concentrations can cause narcotic effects; Harmful by ingestion (may cause lung damage by aspiration); [Alfa Aesar MSDS] See Cyclohexane. See Deuterium.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Toxikologische Informationen
Adverse EffectsNeurotoxin - Acute solvent syndrome
Sicherheitsdaten
- F
- 9
- wgk
- 3
- ridadr
- UN 1145 3/PG 2
- hs_code
- 29021100
- risk_code
- 11-38-50/53-65-67
- hazard_code
- F,Xn,N
- safety_code
- 9-16-25-33-60-61-62-51
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Flam. Liq. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenIt is a commonsolventused inNMR spectroscopy.
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