Sodium dichloroacetate supplier

Name
Sodium dichloroacetate
EINECS 218-461-3
CAS No. 2156-56-1
Article Data2
CAS DataBase
Density
Solubility soluble in cold water
Melting Point 198 °C (dec.)(lit.)
Formula C₂HCl₂NaO₂
Boiling Point 194 °C at 760 mmHg
Molecular Weight 150.925
Flash Point 75.6 °C
Transport Information UN 2811
Appearance white powder
Safety 26-37/39-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Aceticacid, dichloro-, sodium salt (8CI,9CI);CPC 211;Ceresine;Dichloroaceticacid sodium salt;
PSA 40.13000
LogP -0.46000

Synthetic route

: 79-43-6
dichloro-acetic acid

: 2156-56-1
sodium dichloroacetate

Conditions

Conditions	Yield
With sodium hydroxide In water at 20℃; for 2h;	96%
With sodium hydrogencarbonate In N,N-dimethyl-formamide

: 2156-56-1
sodium dichloroacetate

: 58529-40-1
1,2-dichloro-tetramethyl-distannane

: (CH3)2Sn(OC(CHCl2)O)2Sn(CH3)2

Conditions

Conditions	Yield
In water to stirred soln. of tin compd. in degassed H2O was slowly added soln. of Na- (or NH4-) CHCl2COO (50-100% excess); formed ppt. was filtered off, washed with water, then with a little MeOH and dried in vac. at room temp.; recrystn. from PE(40/60); elem. anal.;	99%

: 15663-27-1
cisplatin

: 2156-56-1
sodium dichloroacetate

: 1421629-47-1
cis-[Pt(dichloroacetate)2(NH3)2]

Conditions

Conditions	Yield
Stage #1: cisplatin With nitric acid; silver nitrate In water at 20℃; for 48h; Darkness; Stage #2: sodium dichloroacetate In water	87%

: 72287-26-4, 95464-05-4
(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride

: 2156-56-1
sodium dichloroacetate

: 494828-95-4
[Pd(O2CHCl2)2(1,1'-bis(diphenylphosphino)ferrocene)]

Conditions

Conditions	Yield
With AgNO3 In dichloromethane (Ar); mixing palladium complex, sodium and silver salts in CH2Cl2, stirring at room temp. for 16 h in the dark; filtration through celite column, concn., addn. of hexane; elem. anal.;	84%

: 2156-56-1
sodium dichloroacetate

: Sodium; 4-carbamoylmethoxy-3-chloro-benzenesulfinate

A: 78843-06-8
2-chloro-4-chloromethylsulfonylphenoxyacetic acid

B: 2-(2-Chloro-4-chloromethanesulfonyl-phenoxy)-acetamide

Conditions

Conditions	Yield
In water at 95℃; for 8h;	A n/a B 82%
In water at 95℃; for 8h;	A n/a B 82%

...Expand

: 2156-56-1
sodium dichloroacetate

: sodium salt of 4-chloro-2-sulfinylphenoxyacetamide

A: (4-Chloro-2-chloromethanesulfonyl-phenoxy)-acetic acid

B: 2-(4-Chloro-2-chloromethanesulfonyl-phenoxy)-acetamide

Conditions

Conditions	Yield
In water at 95℃; for 8h;	A n/a B 80.3%

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: 14752-66-0
sodium p-chlorobenzenesulphinate

: 2156-56-1
sodium dichloroacetate

: 5943-04-4
chloromethyl p-chlorophenyl sulfone

Conditions

Conditions	Yield
In water at 90℃; for 7h;	74%

: 2156-56-1
sodium dichloroacetate

: Sodium; 4-carbamoylmethoxy-benzenesulfinate

A: 78843-02-4
4-chloromethylsulfonylphenoxyacetic acid

B: 2-(4-Chloromethanesulfonyl-phenoxy)-acetamide

Conditions

Conditions	Yield
In water at 95℃; for 8h;	A n/a B 73.1%

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: 2156-56-1
sodium dichloroacetate

: Sodium; 4-carbamoylmethoxy-2-chloro-benzenesulfinate

A: (3-Chloro-4-chloromethanesulfonyl-phenoxy)-acetic acid

B: 2-(3-Chloro-4-chloromethanesulfonyl-phenoxy)-acetamide

Conditions

Conditions	Yield
In water at 95℃; for 8h;	A n/a B 72.8%

...Expand

: 31588-18-8
3-hydroxy-2-phenyl-1H-quinolin-4-one

: 2156-56-1
sodium dichloroacetate

: C17H11NO4

Conditions

Conditions	Yield
Stage #1: 3-hydroxy-2-phenyl-1H-quinolin-4-one With potassium carbonate In N,N-dimethyl-formamide Reflux; Inert atmosphere; Stage #2: sodium dichloroacetate In N,N-dimethyl-formamide for 1.83333h; Inert atmosphere;	72%

: 366804-74-2
[(-CH2C6H2(S)(tert-butyl)CH2N(methyl)C2H4N(methyl)C2H4N(methyl)CH2C6H2(S)(tert-butyl)CH2N(methyl)C2H4N(methyl)C2H4N(methyl)-)Ni2(μ-Cl)](perchlorate)

: 2156-56-1
sodium dichloroacetate

: 1258236-76-8
[((t-Bu)2C24H28N6S2(Me)6)Ni2(μ-O2CCHCl3)]ClO4

Conditions

Conditions	Yield
With LiClO43H2O In methanol byproducts: NaCl; (Ar), Schlenk techniques; addn. of soln. of Na compd. in MeOH to soln. of Ni complex in MeOH, stirring for 2 to 3 h, addn. of soln. of LiClO43H2O in MeOH; filtration, air drying, dissolving in MeCN, filtration, addn. of EtOH, concn., storage for 6 h, filtration, crystn. from MeCN/EtOH (1:1), air drying, elem. anal.;	70%

: 2156-56-1
sodium dichloroacetate

: Sodium; 4-carbamoylmethoxy-2,5-dichloro-benzenesulfinate

A: 2-(2,5-Dichloro-4-chloromethanesulfonyl-phenoxy)-acetamide

B: (2,5-Dichloro-4-chloromethanesulfonyl-phenoxy)-acetic acid

Conditions

Conditions	Yield
In water at 95℃; for 8h;	A 69.5% B n/a

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: 1271-19-8
bis(cyclopentadienyl)titanium dichloride

: 1118-71-4
2,2,6,6-tetramethylheptane-3,5-dione

: 2156-56-1
sodium dichloroacetate

: {(C5H5)2Ti((CH3)3CCOCHCOC(CH3)3)(Cl2HCCO2)}

Conditions

Conditions	Yield
In water mixture of Cp2TiCl2(0.01mole) and corresponding dione (0.011mole) in water (60ml) was stirred at 60-65°C (6h), filtered, and the filtrate then added to concd. soln. of acetate (0.01mole) until no more ppt. was formed;; the formed ppt. was digested over a water bath (3h), allowed to stand for a few h, filtered, washed and dried under vacuum; elem. anal.;;	68%

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: ammonium hexafluorophosphate

: 2Na(1+)*OC6H2(CH3)CHN(CH2)3NCHC6H2(CH3)(O)CHN(CH2)3NCH(2-)=Na2(OC6H2(CH3)CHN(CH2)3NCH)2

: 7732-18-5
water

: 7705-08-0
iron(III) chloride

: 2156-56-1
sodium dichloroacetate

: di-μ-oxo-bis[(OC6H2(Me)CHN(CH2)3NCH)2-diiron(III)(dichloroacetato)] bis(hexafluorophosphate) dihydrate

Conditions

Conditions	Yield
With Et3N In methanol Na dichloroacetate and MeOH soln. of Et3N added to suspn. of Na salt of ligand and FeCl3 in hot MeOH; refluxed for 1 h; filtered; NH4PF6 added to filtrate; stirred at room temp. for 8 h; ppt. dissolved in MeCN; crystd. by diffusion of Et2O; elem. anal.;	68%

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: 1271-19-8
bis(cyclopentadienyl)titanium dichloride

: 2156-56-1
sodium dichloroacetate

: 123-54-6
acetylacetone

: {(C5H5)2Ti(CH3COCHCOCH3)(Cl2CHCO2)}

Conditions

Conditions	Yield
In water addn. of dione (0.012mole) to a concd. aq. soln. of Cp2TiCl2 (0.01mole in 60ml H2O), stirring mixture (2h), removal of ppt. by filtration, slow addn. of filtrate to concd. aq. soln. of NaCl2HCCO2 (equimolar: 0.01mole) with continous stirring;; digesting of formed ppt. over a water bath at 60°C (2h), standing overnight, filtration, washing and drying under vacuum, dissolving ppt. in dichloromethane and repptg. by adding of light petroleum ether; elem. anal.;;	65%

Yield

In water addn. of dione (0.012mole) to a concd. aq. soln. of Cp2TiCl2 (0.01mole in 60ml H2O), stirring mixture (2h), removal of ppt. by filtration, slow addn. of filtrate to concd. aq. soln. of NaCl2HCCO2 (equimolar: 0.01mole) with continous stirring;; digesting of formed ppt. over a water bath at 60°C (2h), standing overnight, filtration, washing and drying under vacuum, dissolving ppt. in dichloromethane and repptg. by adding of light petroleum ether; elem. anal.;;

65%

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: 1271-19-8
bis(cyclopentadienyl)titanium dichloride

: 2156-56-1
sodium dichloroacetate

: 93-91-4
1-phenylbutan-1,3-dione

: {(C5H5)2Ti(CH3COCHCOC6H5)(Cl2HCCO2)}

Conditions

Conditions	Yield
In water stirring Cp2TiCl2 (0.01mole) in water (60ml) with an excess of corresponding dione (0.014mole) for 3h (formation of soln. of ((Cp2Ti(MeCOCHCOPh))Cl), filtration, slow addn. of filtrate to a hot aq. soln. of acetate (0.01mole), further stirring (4h);; digesting of formed ppt. over a water bath at 60°C (0.5h), standing overnight, filtration, washing and drying under reduced pressure; elem. anal.;;	62%

Yield

In water stirring Cp2TiCl2 (0.01mole) in water (60ml) with an excess of corresponding dione (0.014mole) for 3h (formation of soln. of ((Cp2Ti(MeCOCHCOPh))Cl), filtration, slow addn. of filtrate to a hot aq. soln. of acetate (0.01mole), further stirring (4h);; digesting of formed ppt. over a water bath at 60°C (0.5h), standing overnight, filtration, washing and drying under reduced pressure; elem. anal.;;

62%

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: bis(μ-hydroxo)bis(tris(2-pyridylmethyl)amine)chromium(III) perchlorate tetrahydrate

: 2156-56-1
sodium dichloroacetate

: {(tris(2-pyridylmethyl)amine)Cr(μ-O)(μ-CHCl2CO2)Cr(tris(2-pyridylmethyl)amine)}(ClO4)3*2H2O

Conditions

Conditions	Yield
In acetonitrile excess carboxylate; alternatively used solvent: methanol; free acid was neutralized with stoichiometric LiOH or triethylamine;; elem. anal.;;	53%

: dichloro-bis-μ-chloro-bis[(1-3η:6-8η)-2,7-dimethyloctadienediyl]diruthenium(II)

: 2156-56-1
sodium dichloroacetate

: {Ru(C10H16)(O2CCHCl2)2(OH2)}

Conditions

Conditions	Yield
In dichloromethane; acetone byproducts: NaCl; addn. of acetate suspension (acetone) to Ru complex soln. (CH2Cl2); stirring, room temp., 12h; filtering off pptd. NaCl; evapn.; recrystn. (chlorofome/diethyl ether 1/1 v/v); filtration; air-drying; elem. anal.;	50%

: 106-41-2
4-bromo-phenol

: 2156-56-1
sodium dichloroacetate

: 107-15-3
ethylenediamine

: 74304-83-9
ethylenediamine-N,N'-bis(α-2-hydroxy-5-bromophenyl)acetic acid

Conditions

Conditions	Yield
With sodium hydroxide In methanol; water at 85℃; for 24h;	30%

...Expand

: rhodium(III) chloride hydrate

: 2156-56-1
sodium dichloroacetate

: C15H18Cl12O16Ru3(1-)*C2HCl2O2(1-)

Conditions

Conditions	Yield
With dichloro-acetic acid In ethanol for 10h; Reflux;	28%

: 39074-38-9
Chloromethyl-phenyl-carbamic acid isopropyl ester

: 2156-56-1
sodium dichloroacetate

: 50888-15-8
Dichloro-acetic acid (isopropoxycarbonyl-phenyl-amino)-methyl ester

: 39074-64-1
Isopropyl-N-chloromethyl-N-(3-chlorophenyl)-carbamate

: 2156-56-1
sodium dichloroacetate

: 40151-73-3
Dichloro-acetic acid [(3-chloro-phenyl)-isopropoxycarbonyl-amino]-methyl ester

: 2156-56-1
sodium dichloroacetate

: 2,3,4,5-tetraphenyl-1H-arsole; lithium salt

: chloro-(2,3,4,5-tetraphenyl-arsol-1-yl)-acetic acid

: 2156-56-1
sodium dichloroacetate

: 2,5-diphenyl-1H-arsole; lithium salt

: chloro-(2,5-diphenyl-arsol-1-yl)-acetic acid

: 109-99-9
tetrahydrofuran

: 2156-56-1
sodium dichloroacetate

: phenylmagnesium bromide

: C8H6Cl2MgO2*C4H8O

Conditions

Conditions	Yield
for 50h; Ambient temperature;

...Expand

: 1206-36-6
diphenyltellurium dichloride

: 2156-56-1
sodium dichloroacetate

: 111008-25-4
diphenyltellurium(IV) bis(dichloroacetate)

Conditions

Conditions	Yield
In benzene for 24h;

: 74271-47-9
chloro-5 hydroxy-2 α-methyl α-phenyl benzene methanol

: 2156-56-1
sodium dichloroacetate

: 67059-60-3, 67059-61-4, 67059-77-2, 74271-48-0, 74271-49-1, 86617-17-6, 86617-18-7
acide benzodioxine-(1,3)> caboxylique-2 trans

: 67059-60-3, 67059-61-4, 67059-77-2, 74271-48-0, 74271-49-1, 86617-17-6, 86617-18-7
acide benzodioxine-(1,3)> caboxylique-2 cis

Conditions

Conditions	Yield
With sodium amide In N,N,N,N,N,N-hexamethylphosphoric triamide; toluene for 9h; Heating; Yield given. Yields of byproduct given;

...Expand

: 60-29-7
diethyl ether

: 2156-56-1
sodium dichloroacetate

: 75-36-5
acetyl chloride

A: 4124-30-5
dichloroacetic anhydride

B acetic acid dichloroacetic acid-anhydride: acetic acid dichloroacetic acid-anhydride

...Expand

Sodium dichloroacetate Specification

The Sodium dichloroacetate, with the cas register number 2156-56-1, has its IUPAC name of sodium 2,2-dichloroacetate. This is a kind of white powder, and is soluble in cold water.

The characteristics of this chemical are as below: (1)H-Bond Acceptor: 2; (2)Rotatable Bond Count: 1; (3)Exact Mass: 149.925129; (4)MonoIsotopic Mass: 149.925129; (5)Topological Polar Surface Area: 40.1; (6)Heavy Atom Count: 7; (7)Formal Charge: 0; (8)Complexity: 64.7; (9)Covalently-Bonded Unit Count: 2.

Uses of Sodium dichloroacetate: Sodium dichloroacetate could react with ethane-1,2-diamine and 4-bromo-phenol to produce dibromo N,N'-ethylenebis[2-(o-hydroxyphenyl)glycines]. The reaction condition is below: reagent: 6 N NaOH; solution:H2O, methanol; reaction time: 24 hours; reaction temp.: 85 ℃; field: 30%.

You should be cautious while dealing with this chemical. Being a kind of irritant chemical, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. So while using this, you should take the following instructions. Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

The following datas could be converted into the molecular structure:
(1)Canonical SMILES: C(C(=O)[O-])(Cl)Cl.[Na+]
(2)InChI: InChI=1S/C2H2Cl2O2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1
(3)InChIKey: LUPNKHXLFSSUGS-UHFFFAOYSA-M

Below are the toxicity information which have been tested:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	> 3gm/kg (3000mg/kg)	Journal of Agricultural and Food Chemistry. Vol. 10, Pg. 370, 1962.
mouse	LD50	oral	4845mg/kg (4845mg/kg)	Journal of Pharmacology and Experimental Therapeutics. Vol. 222, Pg. 501, 1982.
rat	LD50	oral	5281mg/kg (5281mg/kg)	Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 78, 1941.

Product Name

Sodium dichloroacetate

Synthetic route

Sodium dichloroacetate Specification

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