ChemicalBook Product Catalog Chemical Reagents Deuterated Reagents Chloroform-d

Chloroform-d

Product NameChloroform-d
CAS865-49-6
MFCCl3D
MW120.38
EINECS212-742-4
MOL File865-49-6.mol

Chemical Properties

Melting point	−64 °C(lit.)
Boiling point	60.9 °C(lit.)
Density	1.500 g/mL at 25 °C(lit.)
vapor pressure	211 hPa (20 °C)
refractive index	n20/D 1.444(lit.)
Flash point	62°C
storage temp.	Store at +2°C to +8°C.
solubility	Miscible with organic solvents, ethyl acetate and acetone.
form	Liquid
color	White to beige
Specific Gravity	1.505
Sensitive	Moisture Sensitive
BRN	1697633
Exposure limits	ACGIH: TWA 10 ppm OSHA: Ceiling 50 ppm(240 mg/m3) NIOSH: IDLH 500 ppm; STEL 2 ppm(9.78 mg/m3)
Stability	Stable. Incompatible with strong bases, alkali metals, aluminium, magnesium, strong oxidizing agents.
InChIKey	HEDRZPFGACZZDS-MICDWDOJSA-N
LogP	1.5-1.6 at 20-23℃ and pH9
Surface tension	72.3mN/m at 998.5mg/L and 20℃
CAS DataBase Reference	865-49-6(CAS DataBase Reference)
EPA Substance Registry System	Chloroform-d (865-49-6)

Safety Information

Hazard Codes	Xn,T
Risk Statements	22-38-40-48/20/22-48/20-36/38-20/22-63
Safety Statements	36/37
RIDADR	UN 1888 6.1/PG 3
WGK Germany	2
HazardClass	6.1
PackingGroup	III
HS Code	28459000
Toxicity	LD50 orally in Rabbit: 695 mg/kg LD50 dermal Rabbit > 3980 mg/kg

MSDS

Provider	Language
ACROS	English
SigmaAldrich	English
ALFA	English

Usage And Synthesis

Water peak

The position of the water peak in different deuterated reagents is not the same. The water peak of heavy water is about 4.67 ppm. There is a trend that the more water the low field.
Chloroform-D is less soluble with water and the water content is low, so its water peak near 1.59 ppm. Deuterated acetone is about 2.8 ppm and the deuterated dimethylsulfoxide has a water peak of about 3.4 ppm. If water is added to deuterated acetone, the water peak will gradually move to a low field and eventually stop at about 4.7 ppm.

Application

Reagents for nuclear magnetic instruments

Chemical Properties

colourless liquid

Uses

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

Uses

Labelled Chloroform, generally in trimethylsilane solution, used in NMR spectroscopy as a solvent. Unlabelled chloroform has been used an an anaesthetic due to its action on the central nervous system .

Uses

Chloroform-d is widely used in the organic solvent for the NMR analysis.

Definition

ChEBI: Deuterated chloroform is a deuterated compound that is an isotopologue of chloroform in which the hydrogen atom is replaced with deuterium. Commonly used as a solvent in proton NMR spectroscopy. It has a role as a non-polar solvent, a NMR solvent and a NMR chemical shift reference compound. It is a deuterated compound and a member of chloromethanes.

General Description

Chloroform-d (Deuterochloroform, CDCl₃), deuterated chloroform, is a 100% isotopically enriched NMR (Nuclear Magnetic Resonance) solvent. 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 in the ν₁ and ν₂ bands of CHCl₃ and CDCl₃.