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494275 Sigma-Aldrich

Chloroform-d

"100%", 99.96 atom % D, contains 0.03 % (v/v) TMS

Synonym: Deuterochloroform

  • CAS Number 865-49-6

  • Linear Formula CDCl3

  • Molecular Weight 120.38

  •  Beilstein/REAXYS Number 1697633

  •  EC Number 212-742-4

  •  MDL number MFCD00000827

  •  PubChem Substance ID 24872890

  •  NACRES NA.21

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Properties

Related Categories Alphabetical Listings, C, Chloroform, Chloroform-d, NMR Solvents,
Quality Level   200
isotopic purity   99.96 atom % D
assay   ≥99.00%
form   liquid
contains   0.03 % (v/v) TMS
application(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 0.03% (v/v) TMS (tetramethylsilane). It is 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.

Packaging

10 g in ampule

10×0.75 mL in ampule

50 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
RIDADR 
UN 1888 6.1 / PGIII
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable
Protocols & Articles

Articles

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

Peer-Reviewed Papers
15

References

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