522015

Chloroform-d

99.8 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: 24874242

Properties

• isotopic purity: 99.8 atom % D
• Quality Level: 100
• Assay: ≥99.00%
• packaging: pk of 10 × 0.6 mL
• 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 NMR solvent useful in NMR-based research and analyses. It may be synthesized by reacting trichloroacetophenone and sodium deuteroxide. The influence of the number of pulses on its multiphoton decomposition (MPD) has been studied. Infrared spectral studies of C-D stretching and bending motions of CDCl₃ in different solvents have been investigated. The effect of chloroform-d on the interaction of water with activated carbons has been analyzed. The dependence of molecular reorientation of deuterated chloroform on pressure and temperature has been studied by Raman spectroscopy.

Application

Chloroform-d may be used in the synthesis of dichlorofluoromethane-d.

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: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves