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HomeProduct name listChloroform-d

Chloroform-d

Synonym(s):Chloroform-D1;Deuterochloroform

  • CAS NO.:865-49-6
  • Empirical Formula: CCl3D
  • Molecular Weight: 120.38
  • MDL number: MFCD00000827
  • EINECS: 212-742-4
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-04-22 11:58:20
Chloroform-d Structural

What is Chloroform-d?

Chemical properties

colourless liquid

The Uses of Chloroform-d

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 .

The Uses of Chloroform-d

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

The Uses of Chloroform-d

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

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.

Properties of Chloroform-d

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.
CAS DataBase Reference 865-49-6(CAS DataBase Reference)
EPA Substance Registry System Chloroform-d (865-49-6)

Safety information for Chloroform-d

Signal word Danger
Pictogram(s)
ghs
Skull and Crossbones
Acute Toxicity
GHS06
ghs
Health Hazard
GHS08
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H331:Acute toxicity,inhalation
H336:Specific target organ toxicity,single exposure; Narcotic effects
H351:Carcinogenicity
H372:Specific target organ toxicity, repeated exposure
Precautionary Statement Codes P201:Obtain special instructions before use.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P308+P313:IF exposed or concerned: Get medical advice/attention.

Computed Descriptors for Chloroform-d

InChIKey HEDRZPFGACZZDS-MICDWDOJSA-N

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