(2H)Chlorform
Chloroform-D
Grundinformationen
- CAS
865-49-6- Standard-SMILES
[2H]C(Cl)(Cl)Cl- InChIKey
HEDRZPFGACZZDS-MICDWDOJSA-N- Summenformel
- CHCl3
- Durchschnittliche Molmasse
- 120,38 g/mol
- Monoisotopische Masse
- 118,92065982
Überblick
Deuterated chloroform is a deuterated compound that is an isotopologue of chloroform in which the hydrogen atom is replaced with deuterium. Commonly used as a solvent in proton NMR spectroscopy. It has a role as a NMR solvent and a non-polar solvent. It is a member of chloromethanes and a deuterated compound.
Namen und Bezeichner
- Bevorzugter Name
- Chloroform-D
- IUPAC
- trichloro(deuterio)methane
- Lokaler Name
- (2H)Chlorform
- Englischer Name
- Chloroform-d
- Summenformel
- CCl3D
- Molmasse
- 120.38
Namen und Synonyme
Chloroform-D865-49-6deuteriochloroformTrichloromethane-dMethane-d, trichloro-(2H)Chloroformdeuterated chloroformCDCl3Trichloromethane-d1deuterotrichloromethanedeuteriotrichloromethaneUNII-P1NW4885VT
Weitere Namen anzeigen
CHLOROFORM-D1DEUTEROCHLOROFORMTrichloro(2H)methaneChloroform-d, 99.8 atom % D, anhydrousChloroform-d, 99.8% Isotopic, contains 1% TMS
TRICHLORODEUTERIOMETHANEP1NW4885VTtrichloro((2)H)methaneEINECS 212-742-4CHLOROFORM (CDCL3)CHEBI:85365RefChem:5671212-742-4
Datenbank-Bezeichner
- CAS
865-49-6- PubChem CID
- 71583
- DTXSID
DTXSID50904766- ChEBI
CHEBI:85365- UNII
- P1NW4885VT
- EC Number
- 212-742-4
- Nikkaji
- J195.130K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 4
- Formalladung
- 0
- Komplexität
- 8
Experimentelle und physikochemische Eigenschaften
SolventsSolvents -> Chlorinated Aliphatics
Density1.5004 @25 °C
Boiling Point60.9 °C @760 [mm Hg]
Melting Point-64 °C
Physical DescriptionHygroscopic liquid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 64 °C · −64 °C (−83 °F; 209 K)
- Siedepunkt
- 61 °C · 61 °C (142 °F; 334 K)
- Dichte
- 1.5 g/cm3 · 1.500 g/cm3
- Dampfdruck
- 211 hPa · 211 hPa (20 °C)
- Brechungsindex
- 20 · n 20/D 1.444 (lit.)
- Flammpunkt
- does not flash
- storage temp.
- 2 °C · Store at +2°C to +8°C.
- Löslichkeit
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 31.6% (36 of 114) of reports.
Danger
H302 (64.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 114 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Methane-d, trichloro-
Status: Active Update: 14-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19049
Chloroform-D1: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Methane-d, trichloro-: Human health tier I assessment
Hazards SummaryA skin and strong eye irritant; Harmful by ingestion; Targets the cardiovascular system, CNS, blood, liver, and kidney; [Sigma-Aldrich MSDS] See Chloroform. See Deuterium.
Hazard Classes and CategoriesAcute Tox. 4 (64.9%)
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
2.0 [ppm]
64 [ppm]
Chemie und Industrie
Anwendungen
BeschreibungDeuterated chloroform (CDCl3), also known as chloroform-d, is an excellent everyday solvent choice for scientists who demand exceptional results. Commonly used as a solvent in proton NMR (1H NMR) spectroscopy, chloroform-d can dissolve a vast array of compounds with ease due to its weak polarity. It is often used in combination with methanol-d as a cosolvent. Plus, its low boiling point makes it relatively easy to recover a sample post-NMR analysis or during organic syntheses.
VerwendenChloroform-d is widely used in the organic solvent for the NMR analysis.
Darstellung
synthetischeOn a large-scale, chloroform-d (CDCl3) is synthesized by treatment of a hypochlorite salt with deuterated acetone/ethanol or the reaction between chloral and sodium deuteroxide (NaOD). The NaOD is prepared from the reaction of deuterium oxide (D2O) and sodium metal, which liberate deuterium gas from the reaction mixture; therefore, this reaction has drawbacks, including the danger of explosion of the deuterium gas and high risk for use of metal sodium on larger scales. In order to avoid the above drawbacks, the convenient reaction of sodium peroxide and D2O was used to prepare NaOD.
Vor- und nachgelagerte Produkte
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Nachgelagerte Produkte
Ergänzende Hinweise
Zugehörige Reaktionen
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