Chloroform-d Property

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

Specific Gravity

1.505

color 

White to beige

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

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

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H331Toxic if inhaled

H336May cause drowsiness or dizziness

H351Suspected of causing cancer

H372Causes damage to organs through prolonged or repeated exposure

Precautionary statements

P201Obtain special instructions before use.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P308+P313IF exposed or concerned: Get medical advice/attention.

Chloroform-d Chemical Properties,Usage,Production

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

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.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.

Description

Deuterated chloroform (CDCl3), also known as chloroform-d, is an excellent everyday solvent choice for scientists who demand exceptional results. Commonly used as a solvent in proton NMR (1H NMR) spectroscopy, chloroform-d can dissolve a vast array of compounds with ease due to its weak polarity. It is often used in combination with methanol-d as a cosolvent. Plus, its low boiling point makes it relatively easy to recover a sample post-NMR analysis or during organic syntheses.

Chemical Properties

colourless liquid

Uses

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

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 .

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.