Deuterochloroform supplier

Name
Chloroform-d
EINECS 212-742-4
CAS No. 865-49-6
Article Data65
CAS DataBase
Density 1.500 g/mL at 25 ºC(lit.)
Solubility
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
Hazard Symbols Xn,T
Synonyms Chloroform-d(6CI,8CI);Chloroform (CDCl3);Deuteriotrichloromethane;Deuterochloroform(CDCl3);Trichlorodeuteriomethane;Trichloromethane-d;Trichloromethane-d1;
PSA 0.00000
LogP 1.98640

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

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%

...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

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%

...Expand

: 56-23-5
tetrachloromethane

A: 865-49-6
chloroform-d1

B: 67-66-3
chloroform

Conditions

Conditions	Yield
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

Conditions	Yield
With deuteriated sodium hydroxide; water-d2

: 67-66-3
chloroform

: 865-49-6
chloroform-d1

Conditions

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;

: 2902-69-4
2,2,2-trichloroacetophenone

: 865-49-6
chloroform-d1

Conditions

Conditions	Yield
With deuteriated sodium hydroxide; water-d2 at -78℃;

: 75-87-6
chloral

: 865-49-6
chloroform-d1

Conditions

Conditions	Yield
With water-d2; calcium oxide

: 76-02-8
Trichloroacetyl chloride

: 865-49-6
chloroform-d1

Conditions

Conditions	Yield
With water-d2; sodium carbonate; calcium carbonate

: 5936-98-1
trichloromethyltrimethylsilane

A: 865-49-6
chloroform-d1

B: 67-66-3
chloroform

Conditions

Conditions	Yield
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

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

: 1735-17-7
Cyclohexane-d12

: 69093-96-5
tert-butyl trichloroperacetate

: 865-49-6
chloroform-d1

Conditions

Conditions	Yield
In tetrachloromethane at 80℃; for 12h; Rate constant; relative rate constants, presence of cyclohexane;

calcium trichloroacetate: calcium trichloroacetate

: 865-49-6
chloroform-d1

Conditions

Conditions	Yield
With deuteriated sodium hydroxide; water-d2

: 67-66-3
chloroform

: 7782-50-5
chlorine

deuterium chloride: deuterium chloride

: 865-49-6
chloroform-d1

Conditions

Conditions	Yield
at 85℃; UV-Licht.Irradiation;

...Expand

: 67-66-3
chloroform

D2O: D2O

K2CO3: K2CO3

: 865-49-6
chloroform-d1

Conditions

Conditions	Yield
at 100 - 105℃;

...Expand

: 19220-07-6
2,2,2-trichloro-O,O'-dideuterio-ethane-1,1-diol

NaOD: NaOD

D2O: D2O

: 865-49-6
chloroform-d1

...Expand

: 865-49-6
chloroform-d1

: 157808-52-1, 31447-09-3
Ru(CO)4(P(CH3)2C6H5)

: 157699-27-9
Ru2(CO)4[P(CH3)2C6H5]2Cl2

Conditions

Conditions	Yield
With CHCl3 In chloroform under N2; light yellow soln. Ru-complex/CHCl3 stirred at 45°C for 2.5 h (soln. turned bright yellow); evapn., column chromy. (Kieselgel 60, hexane/CH2Cl2 (20/1));	100%

: 865-49-6
chloroform-d1

: 422313-58-4
(2-(diphenylphosphanyl)benzaldehyde benzoylhydrazone)PdMe(Cl)

: 201230-82-2
carbon monoxide

: [((2-(diphenylphosphanyl)benzaldehyde benzoylhydrazone)PdCOMe(Cl)]*CDCl3

Conditions

Conditions	Yield
In chloroform-d1 sapphire NMR tube, 30 atm., stirring at 20 °C for 20 h; soln. was filtered through Celite, Et2O was added, ppt. was filtered off, washed with Et2O, slow diffusion of Et2O into CDCl3 soln. at -20 °C, elem. anal.;	99%

...Expand

: 865-49-6
chloroform-d1

: 181188-40-9
[RhH(O2)((C4H9)2PCH2CH2C(CH2)CH2CH2P(C4H9)2)]

: 72051-17-3
ClRh((CH3)3C)2PCH2CH2C(CH2)CH2CH2P(C(CH3)3)2

Conditions

Conditions	Yield
In chloroform-d1 1 d;	99%

: 865-49-6
chloroform-d1

: 1021604-41-0
ortho-B10H10C(Pt-Bu2)C(PEt2)

: nido-B10H10C(PDt-Bu2)C(PClEt2)

Conditions

Conditions	Yield
In chloroform-d1 standing in CDCl3 for 28 h; detected by NMR spectra;	99%

: 865-49-6
chloroform-d1

: 1220982-83-1
(IPr)2NiCl

: trans-(1,3-bis(2,6-diisopropylphenyl)imidazolin-2-yliden)2NiCl2

Conditions

Conditions	Yield
In chloroform-d1	99%

: 865-49-6
chloroform-d1

: [Ru(hydridotris(pyrazol-1-yl)borato)2(tetrahydrothiophene)2]

: [Ru(hydridotris(pyrazol-1-yl)borato)2] * CDCl3

Conditions

Conditions	Yield
In chloroform-d1 N2-atmosphere; standing for 1 week; pptn. on partial evapn.; elem. anal.;	97%

: 865-49-6
chloroform-d1

: di(C6H3(NMe2)2)stannylene

: SnCl(SiDCl2)(C6H3(N(CH3)2)2)2

Conditions

Conditions	Yield
In diethyl ether; chloroform-d1 under Ar atm. using Schlenk techniques; excess CDCl3 added to soln. of Sn(C6H3(NMe)2)2 in Et2O at 25°C; soln. stirred for 2 h; solvent removed (vac.); ppt. treated (hexane); kept at -30°C for 12 h;	96%

: 21264-30-2, 90243-59-7, 14592-56-4
dichloro bis(acetonitrile) palladium(II)

: 865-49-6
chloroform-d1

: 7446-09-5
sulfur dioxide

: 80937-33-3
oxygen

: 4,4',4-tri-tert-butyl-2,2':6',2-terpyridine

: 484652-13-3, 484652-19-9
(4,4',4''-tri(tert-butyl)-2,2':6',2''-terpyridine)(S-sulfito)palladium(II)

: (4,4',4''-tri(tert-butyl)-2,2':6',2''-terpyridine)chloropalladium(II) chloride*2.5(CDCl3)

Conditions

Conditions	Yield
In acetonitrile byproducts: acetamide; Pd complex dissolved in MeCN at room temp.; stirred for 10 min; O2-SO2 bubbled into the soln.; solid ligand (0.26 equiv.) added; dissolved over 10 min; remaining ligand (0.6 equiv.) added; stirred under O2-SO2 gas flow at room temp. for 2 h; flushed with O2 to remove SO2; H2O and MeOH added; kept for 48 h; recrystd. from CDCl3; ratio of the final compds. depended on react. microconditions; elem. anal.;	A n/a B 95%

Yield

In acetonitrile byproducts: acetamide; Pd complex dissolved in MeCN at room temp.; stirred for 10 min; O2-SO2 bubbled into the soln.; solid ligand (0.26 equiv.) added; dissolved over 10 min; remaining ligand (0.6 equiv.) added; stirred under O2-SO2 gas flow at room temp. for 2 h; flushed with O2 to remove SO2; H2O and MeOH added; kept for 48 h; recrystd. from CDCl3; ratio of the final compds. depended on react. microconditions; elem. anal.;

A n/a
B 95%

...Expand

: 865-49-6
chloroform-d1

: 1428578-80-6
C20H28AuOP

: 1428579-07-0
C21H27AuCl3P

Conditions

Conditions	Yield
With triphenylphosphine	95%

: 865-49-6
chloroform-d1

: 1571889-94-5
C19H33FN3Pd(1+)*CF3O3S(1-)

: C19H33ClN3Pd(1+)*CF3O3S(1-)

Conditions

Conditions	Yield
at 80℃; for 9.5h; Inert atmosphere; Schlenk technique; Glovebox; Sealed tube;	95%

: [1-(2-Hex-1-ynyl-phenyl)-meth-(E)-ylidene]-phenyl-amine

: 865-49-6
chloroform-d1

: 1028420-12-3
C20H19(2)HCl3N

Conditions

Conditions	Yield
With 1,2-bis-(diphenylphosphino)ethane; bis-triphenylphosphine-palladium(II) chloride at 100℃;	94%

: 865-49-6
chloroform-d1

: 1239426-13-1
([(i-Pr)2C3N2Me2]Ge(2,4,6-trimethylphenyl)2Et)I

: 1239426-11-9
chloro(ethyl)bis(2,4,6-trimethylphenyl)germanium

Conditions

Conditions	Yield
In chloroform-d1 (N2), Schlenk techniques; soln. of Ge compd. in CDCl3 stored for 10 min; extn. with satd. soln. of NH4Cl, aq. phase washed with CH2Cl2, combined org. phases dried over MgSO4, filtration, filtrate evapd., residue dissolved in hexanes, filtration through silica, evapn.;	94%

: 75-77-4
chloro-trimethyl-silane

: 865-49-6
chloroform-d1

A: 65426-07-5
tris(trimethylsilyl)deuteriomethane

B: 123145-84-6
C7H19(2)HSi2

Conditions

Conditions	Yield
With 4,4'-di-tert-butylbiphenyl; lithium In tetrahydrofuran at -90 - -80℃;	A 92% B n/a

...Expand

: 865-49-6
chloroform-d1

: 581797-57-1
[(Ir(μ-pyrazolato)(H)(CN-t-Bu)2)2(μ-Cl)]CF3SO3

: 581797-59-3
[(Ir(μ-pyrazolato)(Cl)(CN-t-Bu)2)2(μ-Cl)]CF3SO3

Conditions

Conditions	Yield
In chloroform-d1 byproducts: CD2Cl2; Irradiation (UV/VIS); (Ar); Ir complex soln. irradiated in a sealed NMR tube with the direct sun light; layered with Et2O, crystd. for 2 d, filtered, washed (cold Et2O), dried (vac.); elem. anal.;	90%

: 865-49-6
chloroform-d1

: 1352656-20-2
[W(CO)5(PH(CH(SiMe3)2)(OPh))]

: 1416967-42-4
[W(CO)5(PCl(CH(SiMe3)2)(OPh))]

Conditions

Conditions	Yield
With 12-crown-4, lithium diisopropylamide In diethyl ether under Ar, soln. of phosphane complex (0.1 mmol) and 12-crown-4 (0.1 mmol) in Et2O added dropwise to soln. of lithium diisopropylamide at -78°C, stirred for 0.5 h, solvent evapd. in vac., solid dissolved in CDCl3; volatiles evapd., residue washed with n-pentane at ca. -60°C, dried, crystd. from Et2O at ambient temp., detd. by 1H NMR, 13C NMR, 31P NMR, IR, MS, elem. anal., XRD;	90%

Yield

With 12-crown-4, lithium diisopropylamide In diethyl ether under Ar, soln. of phosphane complex (0.1 mmol) and 12-crown-4 (0.1 mmol) in Et2O added dropwise to soln. of lithium diisopropylamide at -78°C, stirred for 0.5 h, solvent evapd. in vac., solid dissolved in CDCl3; volatiles evapd., residue washed with n-pentane at ca. -60°C, dried, crystd. from Et2O at ambient temp., detd. by 1H NMR, 13C NMR, 31P NMR, IR, MS, elem. anal., XRD;

90%

: 865-49-6
chloroform-d1

: (iPrP2SiH)Co(CO)2

: (iPrP2SiCl)Co(CO)2

Conditions

Conditions	Yield
In chloroform-d1; benzene-d6 at 85℃; for 20h; Sealed tube; Inert atmosphere; Glovebox;	90%

: 865-49-6
chloroform-d1

: 38846-64-9
2-ethynylbenzaldehyde

: 62-53-3
aniline

: C16H11(2)HCl3N

Conditions

Conditions	Yield
With 4 A molecular sieve In dichloromethane at 25℃; for 48h;	89%
With MS4A at 20℃; for 48h;	81%

...Expand

: chloromethyl(1,5-cyclooctadiene)palladium(II)

: 865-49-6
chloroform-d1

: 909273-79-6
((C6H5)2PCH2)2NC6H3(OH)COOH

: 6Pd(2+)*6Cl(1-)*6((C6H5)2PCH2)2NC6H3(OH)COO(1-)*99C(2)HCl3=(PdCl(((C6H5)2PCH2)2NC6H3(OH)COO))6*99C(2)HCl3

Conditions

Conditions	Yield
In chloroform-d1 byproducts: CH4; ligand and Pd complex dissolved in CDCl3; stored for ca. 5 d; resultant Pd complex contained between 1 and 3 mol of CDCl3; ppt. isolated; elem. anal.; monitored by (1)H and (31)P NMR spectra;	88%

...Expand

: 865-49-6
chloroform-d1

: 558-19-0
dichlorofluoromethane-d

Conditions

Conditions	Yield
With antimony(III) fluoride; antimony pentafluoride at 35℃; for 4h;	87%

: 865-49-6
chloroform-d1

: 193084-66-1, 193158-89-3
Ir(CO)(H)2(C6H3(CH2P(CH(CH3)2)2)2)

: 193084-78-5
Ir(H)(Cl)(CO)(C6H3(CH2P(CH(CH3)2)2)2)

Conditions

Conditions	Yield
With triphenylphosphine In chloroform-d1 N2-atmosphere; room temp. (5 d); pptn. on pentane addn., washing (pentane);	86.1%

: 21264-30-2, 90243-59-7, 14592-56-4
dichloro bis(acetonitrile) palladium(II)

: 865-49-6
chloroform-d1

: 1018686-28-6
(E)-N,N'-dicyclohexyl-N-diphenylphosphino-4-acetamidine

: 1018686-41-3
N,N'-dicyclohexyl-N-diphenylphosphino-acetamidine palladium dichloride*chloroform-d1

Conditions

Conditions	Yield
In dichloromethane (N2); addn. of CH2Cl2 soln. of amidine deriv. to suspn. of palladium compd. in CH2Cl2, stirring for 18 h; evapn., washing with ether, dissolving in CDCl3, layering with hexane, keeping for 1 wk, isolation of crystals, elem. anal.;	84%

...Expand

: 10431-98-8
2-ethyl-4,5-dihydrooxazole

: 865-49-6
chloroform-d1

: 88284-48-4
2-(trimethylsilyl)phenyl trifluoromethanesulfonate

: C12H13(2)HCl3NO

Conditions

Conditions	Yield
With potassium fluoride; 18-crown-6 ether at 60℃; for 12h; Inert atmosphere;	80%

...Expand

: methyl 7β-[syn-2-(2-tritylaminothiazol-4-yl)-2-methoxyiminoacetamido]-3-acetoxymethyl-3-cephem-4-carboxylate

: 865-49-6
chloroform-d1

: 16029-98-4
trimethylsilyl iodide

: Methyl 7β-[syn-2-(2-tritylaminothiazol-4-yl)-2-methoxyiminoacetamido]-3-iodomethyl-3-cephem-4-carboxylate

Conditions

Conditions	Yield
With sodium hydrogencarbonate; sodium hydrogensulfite	76%

...Expand

: 14104-20-2
silver tetrafluoroborate

: 865-49-6
chloroform-d1

: 1’-(diphenylphosphanyl)-1-cyanoferrocene

: [Ag(μ-1’-(diphenylphosphino)-1-cyanoferrocene)]2[BF4]2*0.1CHCl3

Conditions

Conditions	Yield
for 1h; Inert atmosphere; Darkness;	76%

...Expand

: 865-49-6
chloroform-d1

: 222721-28-0
Cp(*)Ru[η(5)-CH2CHCHCHN(CMe3)]

A: 222721-22-4
Cp(*)Ru[η(4)-CH2=CHCH=CHNH(CMe3)]Cl

: Cp(*)Ru[η(3)-CH2CHCHCH=N(CMe3)](Cl)2-syn-cis

: Cp(*)Ru[η(3)-CH2CHCHCH=N(CMe3)](Cl)2-syn-trans

Conditions

Conditions	Yield
In chloroform-d1 N2-atmosphere; 30 min; not isolated; detd. by (1)H NMR spectroscopy;	A 12.5% B 75% C 12.5%

...Expand

: Grubbs catalyst first generation

: 865-49-6
chloroform-d1

: 1885-81-0
p-chlorophenyl isocyanide

: [Ru(tricyclohexylphosphine)Cl2(p-chlorophenyl isocyanide)3]*CDCl3

Conditions

Conditions	Yield
In benzene byproducts: PhCHP(C6H11)3; treatment of RuCl2(CHPh)(PCy3)2 with 3.3 equiv. of ClC6H4NC in benzene; crystn. from CDCl3 by slow diffusion of pentanes;	75%

...Expand

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): Harmful Xn, Toxic 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

Product Name

Chloroform-d

Synthetic route

Deuterochloroform Chemical Properties

Deuterochloroform Uses

Deuterochloroform Safety Profile

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