151831

Chloroform-d

99.8 atom % D, contains 1 % (v/v) TMS

• 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
• PubChem Substance ID: 24849168
• NACRES: NA.21

Properties

• isotopic purity: 99.8 atom % D
• Quality Level: 200
• Assay: 99% (CP)
• form: liquid
• contains: 1 % (v/v) TMS
• technique(s): NMR: suitable
• impurities: ≤0.0100% water; water
• 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) is a deuterated derivative of chloroform. It contains 1%(v/v) TMS (Tetramethylsilane, added as a stabilizer). Quantitative 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

Chloroform-d has been used as the deuterated solvent for the NMR spectral studies of the corresponding chiral derivatives of β-aminopropanoic acid containing the α-phenylethyl group, which serve as useful starting materials for the asymmetric synthesis of β-amino acids.

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: Respiratory system
• 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