ChemicalBook--->CAS DataBase List--->865-49-6

865-49-6

865-49-6 Structure

865-49-6 Structure
IdentificationMore
[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 PropertiesBack 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.
[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 DataBack 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
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

4-AMINO-3-FORMYLPYRIDINE
Questions And AnswerBack 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]

Reagents for nuclear magnetic instruments
Hazard InformationBack Directory
[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.
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

Chloroform-d(865-49-6)MS
Chloroform-d(865-49-6)1HNMR
Chloroform-d(865-49-6)13CNMR
Chloroform-d(865-49-6)IR1
Chloroform-d(865-49-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Chloroform-d, 100 atom % D, packaged in 0.75 ml ampules, for NMR(865-49-6)
[Alfa Aesar]

Chloroform-d, 99.8% (Isotopic), contains 1% v/v TMS(865-49-6)
[Sigma Aldrich]

865-49-6(sigmaaldrich)
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