612200

Chloroform-d

99.8 atom % D, contains 0.05 % (v/v) TMS

• Synonym(s): Deuterochloroform
• Linear Formula: CDCl₃
• CAS Number: 865-49-6
• Molecular Weight: 120.38
• Beilstein/REAXYS Number: 1697633
• EC Number: 212-742-4
• MDL number: MFCD00000827
• UNSPSC Code: 12142201
• PubChem Substance ID: 24882093
• NACRES: NA.21

Properties

• isotopic purity: 99.8 atom % D
• Quality Level: 100
• assay: ≥99% (CP)
• form: liquid
• contains: 0.05 % (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 NMR solvent containing 0.05% (v/v) TMS (tetramethylsilane). It is useful in NMR-based research and analyses. It may be synthesized by reacting trichloroacetophenone and sodium deuteroxide.[1] The influence of the number of pulses on its multiphoton decomposition (MPD) has been studied.[2] Infrared spectral studies of C-D stretching and bending motions of CDCl₃ in different solvents have been investigated.[3] The effect of chloroform-d on the interaction of water with activated carbons has been analyzed.[4] The dependence of molecular reorientation of deuterated chloroform on pressure and temperature has been studied by Raman spectroscopy.[5]

Application

Chloroform-d may be used in the synthesis of dichlorofluoromethane-d.[6]

Other Notes

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Safety Information

• pictograms: GHS06,GHS08
• signalword: Danger
• hcodes: H302,H315,H319,H331,H336,H351,H361d,H372
• pcodes: 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
• wgk_germany: WGK 3
• ppe: Eyeshields, Faceshields, Gloves