| Identification | More | [Name]
CHLOROFORM-D | [CAS]
865-49-6 | [Synonyms]
CHLOROFORM-D
CHLOROFORM-D1
DEUTEROCHLOROFORM
TRICHLOROMETHANE-D
Deuterotrichloromethane
Trichloro(2H)methane
trichloro-deuterio-methane
trichlorodeutriomethane
chloroform-D 99.8 atom % D*contains 1% tms
Chloroformdiosotopicpurity
Chloroformdisotopicpuritytetramethylsilane
(2H)chloroform
CHLOROFORM-D, 99.8 ATOM % D, STABILIZEDWITH 0.5 WT. % SILVER FOIL
CHLOROFORM-D >99.5 % WITH 1% (V/V) TMS&
CHLOROFORM-D, 99.8 ATOM % D
CHLOROFORM-D+0.05% TMS (V/V) (AMGEN)
CHLOROFORM-D, "100" (MIN. 99.96 ATOM % D)STABILIZED WITH 0.5 WT. % SILVER WIRE
CHLOROFORM-D 99.8 ATOM% D CONTAINS 0.05% (V/V) TMS
CHLOROFORM, 1000MG, NEAT
CHLOROFORM-D EXTRA (MIN. 99.996 ATOM & | [EINECS(EC#)]
212-742-4 | [Molecular Formula]
CCl3D | [MDL Number]
MFCD00000827 | [Molecular Weight]
120.38 | [MOL File]
865-49-6.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless liquid | [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.)
| [Fp ]
62°C | [storage temp. ]
Store at +2°C to +8°C. | [solubility ]
Miscible with organic solvents, ethyl acetate and acetone. | [form ]
Liquid In Prescored Ampoules, (0.75Ml/ampoule) | [color ]
White to beige | [Specific Gravity]
1.505 | [Stability:]
Stable. Incompatible with strong bases, alkali metals, aluminium, magnesium, strong oxidizing agents. | [Water Solubility ]
4.6g/L | [Sensitive ]
Moisture Sensitive | [Detection Methods]
HPLC | [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) | [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) | [Storage Precautions]
Moisture sensitive;Store under inert gas;Light sensitive | [EPA Substance Registry System]
Chloroform-d (865-49-6) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,T | [Risk Statements ]
R22:Harmful if swallowed.
R38:Irritating to the skin.
R40:Limited evidence of a carcinogenic effect.
R48/20/22:Harmful: danger of serious damage to health by prolonged exposure through inhalation and if swallowed . | [Safety Statements ]
S36/37:Wear suitable protective clothing and gloves . | [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 |
| Questions And Answer | Back Directory | [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. |
| Hazard Information | Back Directory | [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]
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: A deuterated compound that is is an isotopologue of chloroform in which the hydrogen atom is replaced with a deuterium. Commonly used as a solvent in proton MNR spectroscopy. | [Preparation]
On a large-scale, chloroform-d (CDCl3) is synthesized by treatment of a hypochlorite salt with deuterated acetone/ethanol or the reaction between chloral and sodium deuteroxide (NaOD). The NaOD is prepared from the reaction of deuterium oxide (D2O) and sodium metal, which liberate deuterium gas from the reaction mixture; therefore, this reaction has drawbacks, including the danger of explosion of the deuterium gas and high risk for use of metal sodium on larger scales. In order to avoid the above drawbacks, the convenient reaction of sodium peroxide and D2O was used to prepare NaOD.
 | [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. | [References]
[1] LIA ZAHARANI Mohd R B J, NADER GHAFFARI KHALIGH* Cost and Energy Saving Process for the Laboratory-Scale Production of Chloroform-d[J]. Organic Process Research & Development, 2022, 26 11: 3126-3129. DOI:10.1021/acs.oprd.2c00260.
[2] MEI-CHUN WU, HUA YANG* Photoredox-Catalyzed C–H Trideuteromethylation of Quinoxalin-2(1H)-ones with CDCl3 as the “CD3” source[J]. Organic Letters, 2022, 24 35: 6412-6416. DOI:10.1021/acs.orglett.2c02439. |
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