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Deuterochloroform
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Name

Deuterochloroform

 EINECS 212-742-4
CAS No. 865-49-6 Density 1.500 g/mL at 25 ºC(lit.)
PSA 0.00000 LogP 1.98640
Solubility N/A Melting Point -64 °C(lit.)
Formula CCl3D Boiling Point 61.217 °C at 760 mmHg
Molecular Weight 120.37 Flash Point 62°C
Transport Information UN 1888 6.1/PG 3 Appearance colourless liquid
Safety 36/37 Risk Codes 22-38-40-48/20/22
Molecular Structure Molecular Structure of 865-49-6 (Chloroform-d) Hazard Symbols HarmfulXn,ToxicT
Synonyms

Chloroform-d(6CI,8CI);Chloroform (CDCl3);Deuteriotrichloromethane;Deuterochloroform(CDCl3);Trichlorodeuteriomethane;Trichloromethane-d;Trichloromethane-d1;

Article Data 65

Deuterochloroform Synthetic route

(CD(CH3)2CH2)3SnOC3H7-i

75-62-7

Bromotrichloromethane

A

865-49-6

chloroform-d1

B

67-66-3

chloroform

C

23153-21-1

1,1,1-trichloro-3,3-dimethyl-3-bromopropane

D

67-63-0

isopropyl alcohol

E

67-64-1

acetone

Conditions
ConditionsYield
byproducts: CHCl3; Irradiation (UV/VIS); 70°C;A n/a
B n/a
C 10%
D 35%
E 60%
byproducts: CHCl3; Irradiation (UV/VIS); 70°C;A n/a
B n/a
C 10%
D 35%
E 60%
...Expand

(C4H9)3SnOC6H10D

75-62-7

Bromotrichloromethane

A

865-49-6

chloroform-d1

B

101774-42-9

3-bromo-1,1,1-trichloro-pentane

C

67-66-3

chloroform

D

108-94-1

cyclohexanone

E

108-93-0

cyclohexanol

Conditions
ConditionsYield
38% yield of CHCl3 and CDCl3;A n/a
B 18%
C n/a
D 14%
E 38%
38% yield of CHCl3 and CDCl3;A n/a
B 18%
C n/a
D 14%
E 38%
...Expand
56-23-5

tetrachloromethane

A

865-49-6

chloroform-d1

B

67-66-3

chloroform

Conditions
ConditionsYield
With d8-isopropanol In water at 25℃; pH=7; Kinetics;A 33%
B 13%
19220-07-6

2,2,2-trichloro-O,O'-dideuterio-ethane-1,1-diol

865-49-6

chloroform-d1

Conditions
ConditionsYield
With deuteriated sodium hydroxide; water-d2
67-66-3

chloroform

865-49-6

chloroform-d1

Conditions
ConditionsYield
With water-d2; potassium carbonate at 100 - 105℃;
With deuteriated sodium hydroxide In water-d2 at 26℃; Rate constant; Product distribution; Kinetics;
With cis-[RuCl2(1,4-bis(diphenylphosphine)butane)(2,2′-bipyridine)]; water-d2; potassium hydroxide at 20℃; for 3h; Catalytic behavior; Reagent/catalyst; Time;
2902-69-4

2,2,2-trichloroacetophenone

865-49-6

chloroform-d1

Conditions
ConditionsYield
With deuteriated sodium hydroxide; water-d2 at -78℃;
75-87-6

chloral

865-49-6

chloroform-d1

Conditions
ConditionsYield
With water-d2; calcium oxide
76-02-8

Trichloroacetyl chloride

865-49-6

chloroform-d1

Conditions
ConditionsYield
With water-d2; sodium carbonate; calcium carbonate
5936-98-1

trichloromethyltrimethylsilane

A

865-49-6

chloroform-d1

B

67-66-3

chloroform

Conditions
ConditionsYield
With methanol; deuteromethanol; sodium methylate at 21℃; Product distribution; value of product isotope effect;
1124-18-1

toluene-d3

69093-96-5

tert-butyl trichloroperacetate

865-49-6

chloroform-d1

Conditions
ConditionsYield
In tetrachloromethane at 80℃; for 12h; Rate constant; relative rate constants, presence of subst. toluenes or cyclohexane;

Deuterochloroform Chemical Properties

Molecular Structure:

Molecular Formula: CDCl3
Molecular Weight: 120.3838
IUPAC Name: Trichloro(deuterio)methane
Synonyms of Methane-d, trichloro-(9CI) (CAS NO.865-49-6): Chloroform-D ; Deuterochloroform ; EINECS 212-742-4 ; (2H)Chloroform ; Methane-d, trichloro-
CAS NO: 865-49-6
Classification Code: Organics
Melting point: −64 °C 
Index of Refraction: 1.445
Molar Refractivity: 21.18 cm3
Molar Volume: 79.5 cm3
Surface Tension: 28.9 dyne/cm
Density: 1.512 g/cm3
Enthalpy of Vaporization: 29.24 kJ/mol
Boiling Point: 61.2 °C at 760 mmHg
Vapour Pressure: 200 mmHg at 25°C

Deuterochloroform Uses

  Methane-d, trichloro-(9CI) (CAS NO.865-49-6) is used as NMR instrument-reagent.

Deuterochloroform Safety Profile

Hazard Codes of Methane-d, trichloro-(9CI) (CAS NO.865-49-6): HarmfulXn,ToxicT
Risk Statements: 20-38-40-48/22 
R20: Harmful by inhalation. 
R38: Irritating to skin. 
R40: Limited evidence of a carcinogenic effect. 
R48/22: Harmful: danger of serious damage to health by prolonged exposure if swallowed.
Safety Statements: 36/37 
S36/37: Wear suitable protective clothing and gloves.
RIDADR: UN 1888 6.1/PG 3
WGK Germany: 2
HazardClass: 6.1
PackingGroup: III

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