151858

Chloroforme-d

"100%", 99.95 atom % D

• Synonyme(s) : Deutérochloroforme
• Formule linéaire : CDCl₃
• Numéro CAS: 865-49-6
• Poids moléculaire : 120.38
• Numéro Beilstein : 1697633
• Numéro CE : 212-742-4
• Numéro MDL: MFCD00000827
• Code UNSPSC : 12142201
• ID de substance PubChem : 24849171
• Nomenclature NACRES : NA.21

Propriétés

• Niveau de qualité: 100
• Pureté isotopique: 99.95 atom % D
• Pureté: ≥99% (CP)
• Forme: liquid
• Technique(s): NMR: suitable
• Indice de réfraction: n20/D 1.444 (lit.)
• Point d'ébullition: 60.9 °C (lit.)
• Pf: −64 °C (lit.)
• Densité: 1.500 g/mL at 25 °C (lit.)
• Changement de masse: M+1
• Chaîne SMILES: [2H]C(Cl)(Cl)Cl
• InChI: 1S/CHCl3/c2-1(3)4/h1H/i1D
• Clé InChI: HEDRZPFGACZZDS-MICDWDOJSA-N

Description

Description générale

Chloroform-d (Deuterochloroform, CDCl₃), deuterated chloroform, is a 100% isotopically enriched NMR (Nuclear Magnetic Resonance) solvent. It is widely employed in high resolution NMR studies due to its high chemical and isotopic purity. Quantitaive infrared spectral investigations of carbon-deuterium stretching bands of chloroform-d in various organic solvents have been reported. Raman difference spectroscopic studies of mixtures of chloroform-d and liquid chloroform have been conducted to evaluate frequency shifts in the in the ν₁ and ν₂ bands of CHCl₃ and CDCl₃.

Application

• Diphenylpyrrole-Strapped Calix[4]pyrrole Extractant for the Fluoride and Chloride Anions.: This study describes the development and application of a diphenylpyrrole-strapped calix[4]pyrrole as an effective extractant for fluoride and chloride anions, using Chloroform-d as a key solvent in its synthesis (Jung Heo N et al., 2023).


• A simple protocol for determination of enantiopurity of amines using BINOL derivatives as chiral solvating agents via (1)H- and (19)F-NMR spectroscopic analysis.: This research outlines a protocol utilizing Chloroform-d for the NMR spectroscopic analysis of amines′ enantiopurity, highlighting its role in enhancing spectral quality and resolution (Chaudhary P et al., 2022).


• Thermal oxidation stability of different multi-element oleogels via (1)H NMR spectroscopy.: Investigates the thermal oxidation stability of various oleogels, using Chloroform-d in the spectroscopic analysis to assess stability parameters (Qiu H et al., 2022).


• Solvation of the Boc-Val-Phe-nPr peptide characterized by VCD spectroscopy and DFT calculations.: Explores solvation effects on a peptide′s structure, employing Chloroform-d as a solvent to determine its impact on peptide behavior in solution (Scholten K et al., 2022).


• A straightforward catalytic approach to obtain deuterated chloroform at room temperature.: Discusses a novel method for producing Chloroform-d at room temperature, showcasing its practical applications in spectroscopic analysis and chemical synthesis (Higuera-Padilla AR et al., 2020).

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Informations sur la sécurité

• Pictogrammes: GHS06,GHS08
• Mention d'avertissement: Danger
• Mentions de danger: H302,H315,H319,H331,H336,H351,H361d,H372
• Conseils de prudence: P202 - P301 + P312 - P302 + P352 - P304 + P340 + P311 - P305 + P351 + P338 - P308 + P313
• Classification des risques: Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Carc. 2 - Eye Irrit. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 1 Oral - STOT SE 3
• Organes cibles: Central nervous system, Liver,Kidney
• Code de la classe de stockage: 6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects
• Classe de danger pour l'eau (WGK): WGK 3
• Équipement de protection individuelle: Eyeshields, Faceshields, Gloves