151858

Chloroform-d

"100%", 99.95 atom % D

• Synonym(s): Deuterochloroform
• Linear Formula: CDCl₃
• CAS Number: 865-49-6
• Molecular Weight: 120.38
• Beilstein: 1697633
• EC Number: 212-742-4
• MDL number: MFCD00000827
• UNSPSC Code: 12142201
• PubChem Substance ID: 24849171
• NACRES: NA.21

Properties

• Quality Level: 100
• isotopic purity: 99.95 atom % D
• Assay: ≥99% (CP)
• form: liquid
• technique(s): NMR: suitable
• refractive index: n20/D 1.444 (lit.)
• bp: 60.9 °C (lit.)
• mp: −64 °C (lit.)
• density: 1.500 g/mL at 25 °C (lit.)
• mass shift: M+1
• SMILES string: [2H]C(Cl)(Cl)Cl
• InChI: 1S/CHCl3/c2-1(3)4/h1H/i1D
• InChI key: HEDRZPFGACZZDS-MICDWDOJSA-N

Description

General description

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.[1][2] 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.[3]

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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Safety Information

• Pictograms: GHS06,GHS08
• Signal Word: Danger
• Hazard Statements: H302,H315,H319,H331,H336,H351,H361d,H372
• Precautionary Statements: P202 - P301 + P312 - P302 + P352 - P304 + P340 + P311 - P305 + P351 + P338 - P308 + P313
• Hazard Classifications: 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
• Target Organs: Central nervous system, Liver,Kidney
• Storage Class Code: 6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects
• WGK: WGK 3
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves