151823
Chloroform-d
99.8 atom % D
Synonym(s):
Deuterochloroform
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About This Item
Linear Formula:
CDCl3
CAS Number:
Molecular Weight:
120.38
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
EC Number:
212-742-4
Beilstein/REAXYS Number:
1697633
MDL number:
Isotopic purity:
99.8 atom % D
Assay:
≥99% (CP)
Mass shift:
M+1
Form:
liquid
isotopic purity
99.8 atom % D
Quality Level
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
General description
Chloroform-d (Deuterochloroform, CDCl3), deuterated chloroform, is a standard purity solvent for NMR (Nuclear Magnetic Resonance) analyses. 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. Raman difference spectroscopic studies of mixtures of chloroform-d and liquid chloroform have been conducted to evaluate frequency shifts in the ν1 and ν2 bands of CHCl3 and CDCl3.
Application
Chloroform-d has been employed as solvent in a 1H NMR (Proton Nuclear Magnetic Resonance) spectroscopic study. It has been employed as solvent during the 31PNMR (Phosphorus-31 nuclear magnetic resonance) spectral investigation of triphenyl phosphate and tris(2-chloroethyl) phosphate. It has also been used as the deuterated solvent in the 1H NMR spectral studies of 2-(4-bromobenzyl)-3-hydroxypropanoic acid and 3-hydroxy-2-(4-methoxybenzyl)propanoic acid. It has also been used as the deuterated solvent for the 1HNMR spectral studies of 3,3′-dihydroxy-4,4′-diamino-biphenyl (HAB) and 2,2′-bis-(3,4-dicarboxy-phenyl) hexafluoropropane dianhydride (6FDA) polyimide.
Other Notes
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signalword
Danger
target_organs
Central nervous system, Liver,Kidney
Storage Class
6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects
flash_point_f
does not flash
flash_point_c
does not flash
ppe
Eyeshields, Faceshields, Gloves
Hazard Classifications
Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Carc. 2 - Eye Irrit. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 1 - STOT SE 3
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Gas sorption and characterization of thermally rearranged polyimides based on 3, 3'-dihydroxy-4, 4'-diamino-biphenyl (HAB) and 2, 2'-bis-(3, 4-dicarboxyphenyl) hexafluoropropane dianhydride (6FDA)
Smith.PZ, et al.
Journal of Membrane Science, 415, 558-567 (2012)
Selective synthesis of 3-hydroxy acids from Meldrum's acids using SmI2-H2O
Szostak M, et al.
Nature Protocols, 7(5), 970-977 (2012)
Method development in quantitative NMR towards metrologically traceable organic certified reference materials used as 31P qNMR standards.
Weber M, et al.
Analytical and Bioanalytical Chemistry, 407(11), 3115-3123 (2015)