(2H)Chlorform

Chloroform-D

HCID 71583CAS 865-49-6

Grundinformationen

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

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
-63 · -63,5°C
Siedepunkt
61 · 61-62°C
Dichte
1 · d = 1,5
Dampfdruck
211 hPa · 211 hPa (20 °C)
Brechungsindex
20 · n20/D 1.444(lit.)
Flammpunkt
62 °C · 62°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 · 3 Einträge

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) · 3 Einträge

2.0 [ppm]

64 [ppm]

3200 [ppm]

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome

Sicherheitsdaten

wgk
2
ridadr
UN 1888 6.1/PG 3
hs_code
28459000
risk_code
22-38-40-48/20/22-48/20-36/38-20/22-63
Toxizität
LD50 orally in Rabbit: 695 mg/kg LD50 dermal Rabbit > 3980 mg/kg
hazard_code
Xn,T

Chemie und Industrie

Anwendungen · 2 Einträge

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 · 1 Eintrag

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

Anbieter50 Anbieter

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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: 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 non-polar solvent, a NMR solvent and a NMR chemical shift reference compound. It is a deuterated compound and a member of chloromethanes.

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