Description
Chloroform-d, 100G
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
PubChem Substance ID:
24849167
NACRES:
NA.21
PROPERTIES
Quality Level
200
isotopic purity
99.8 atom % D
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.
Packaging
10×0.6, 10×0.75, 10×1 mL in ampule
50, 100, 250 g in glass bottle
1 kg in glass bottle
SAFETY INFORMATION
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
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