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| CAS No.: | 865-49-6 |
|---|---|
| Name: | Methane-d, trichloro-(9CI) |
| Article Data: | 65 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | CCl3D |
| Molecular Weight: | 120.37 |
| Synonyms: | Chloroform-d(6CI,8CI);Chloroform (CDCl3);Deuteriotrichloromethane;Deuterochloroform(CDCl3);Trichlorodeuteriomethane;Trichloromethane-d;Trichloromethane-d1; |
| EINECS: | 212-742-4 |
| Density: | 1.500 g/mL at 25 ºC(lit.) |
| Melting Point: | -64 °C(lit.) |
| Boiling Point: | 61.217 °C at 760 mmHg |
| Flash Point: | 62°C |
| Solubility: | N/A |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 Xn, T
|
| Risk Codes: | 22-38-40-48/20/22 |
| Safety: | 36/37 |
| Transport Information: | UN 1888 6.1/PG 3 |
| PSA: | 0.00000 |
| LogP: | 1.98640 |
Bromotrichloromethane
A
chloroform-d1
B
chloroform
C
1,1,1-trichloro-3,3-dimethyl-3-bromopropane
D
isopropyl alcohol
E
acetone
| Conditions | Yield |
|---|---|
| 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% |
Bromotrichloromethane
A
chloroform-d1
B
3-bromo-1,1,1-trichloro-pentane
C
chloroform
D
cyclohexanone
E
cyclohexanol
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| With d8-isopropanol In water at 25℃; pH=7; Kinetics; | A 33% B 13% |
2,2,2-trichloro-O,O'-dideuterio-ethane-1,1-diol
chloroform-d1
| Conditions | Yield |
|---|---|
| With deuteriated sodium hydroxide; water-d2 |
| Conditions | Yield |
|---|---|
| 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; |
| Conditions | Yield |
|---|---|
| With deuteriated sodium hydroxide; water-d2 at -78℃; |
| Conditions | Yield |
|---|---|
| With water-d2; calcium oxide |
| Conditions | Yield |
|---|---|
| With water-d2; sodium carbonate; calcium carbonate |
| Conditions | Yield |
|---|---|
| With methanol; deuteromethanol; sodium methylate at 21℃; Product distribution; value of product isotope effect; |
| Conditions | Yield |
|---|---|
| In tetrachloromethane at 80℃; for 12h; Rate constant; relative rate constants, presence of subst. toluenes or cyclohexane; |
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Molecular Structure:
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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
Methane-d, trichloro-(9CI) (CAS NO.865-49-6) is used as NMR instrument-reagent.
Hazard Codes of Methane-d, trichloro-(9CI) (CAS NO.865-49-6): 
Xn,
T
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
