Trichloroacetic acid supplier

Name
Trichloroethanoic acid
EINECS 200-927-2
CAS No. 76-03-9
Article Data102
CAS DataBase
Density 1.6298 g/cm³
Solubility water: 0.5 M at 20 °C, clear, colorless
Melting Point 54-58 °C(lit.)
Formula C₂HCl₃O₂
Boiling Point 196.499 °C at 760 mmHg
Molecular Weight 163.388
Flash Point 66.344 °C
Transport Information UN 1839 8/PG 2
Appearance White solid
Safety 26-36/37-61-60-45-36/37/39-24/25
Risk Codes 36/37/38-40-51/53-50/53-35-38-11-34
Molecular Structure
Hazard Symbols Xn, N, C, F
Synonyms Aceticacid, trichloro- (8CI,9CI);Aceto-Caustin;Amchem Grass Killer;NSC 215204;NSC77363;TCA (acid);TKhU;TKhUK;Trichloracetic acid;Trichloroethanoic acid;Trichloroacetic acid;
PSA 37.30000
LogP 1.44120

Synthetic route

: 1194657-31-2
4-nitrosotetrahydro-2H-pyran-4-yl 2,2,2-trichloroacetate

A: 29943-42-8
Tetrahydro-4H-pyran-4-one

B: 10024-97-2
dinitrogen monoxide

C: 76-03-9
trichloroacetic acid

Conditions

Conditions	Yield
With water In methanol; aq. phosphate buffer at 20℃; for 24h; pH=7.4; Kinetics; Reagent/catalyst; Sealed tube;	A n/a B 95% C n/a

...Expand

: 479637-68-8
trichloro-acetic acid (4,5-dimethoxy-2,6-dinitro-phenyl)-phenyl-methyl ester

A: 4,5-dimethoxy-2-nitroso-6-nitrobenzophenone

B: 76-03-9
trichloroacetic acid

Conditions

Conditions	Yield
In dichloromethane for 0.0666667h; Quantum yield; Further Variations:; Solvents; irradiation wavelength; UV-irradiation;	A 69% B n/a

: 545-06-2
trichloroacetonitrile

A: 594-65-0
trichloroacetamide

B: 76-03-9
trichloroacetic acid

Conditions

Conditions	Yield
With water at 140℃; for 6h; Sealed tube;	A 52% B 52%
With hydrogenchloride at 20℃; for 96h; Kinetics; Further Variations:; pH-values; Reagents; Hydrolysis;

: 127-18-4
1,1,2,2-tetrachloroethylene

2: 2

A: 79-43-6
dichloro-acetic acid

B: 76-03-9
trichloroacetic acid

Conditions

Conditions	Yield
With dihydrogen peroxide In water at 25℃; pH=2.8; Product distribution; Further Variations:; Reagents; Oxidation; UV-irradiation;	A 0.18% B 0.11%

...Expand

: 127-18-4
1,1,2,2-tetrachloroethylene

: 76-03-9
trichloroacetic acid

Conditions

Conditions	Yield
With chlorine unter Wasser im Sonnenlicht;

: 515-84-4
Ethyl trichloroacetate

A: 64-17-5
ethanol

B: 76-03-9
trichloroacetic acid

Conditions

Conditions	Yield
hydrogenchloride In water at 25℃; Mechanism; Kinetics; Thermodynamic data; concentration; temperature; ΔH(excit.), ΔS(excit.); constant ionic strength;

: 3974-99-0
trichloroacetic acid isopropyl ester

A: 67-63-0
isopropyl alcohol

B: 76-03-9
trichloroacetic acid

Conditions

Conditions	Yield
hydrogenchloride In water at 45℃; Mechanism; Rate constant; concentration; constant ionic strength;

: 84174-89-0
2,2,2-trichloroacetyl pyrrole

A: 109-97-7
pyrrole

B: 76-03-9
trichloroacetic acid

Conditions

Conditions	Yield
With water at 25℃; Rate constant; var. acidity;

: 74067-78-0
<2,2,2-trichloro-1-<(pentachloroethyl)imino>ethyl>phosphorimidic trichloride

A: 594-65-0
trichloroacetamide

B: 545-06-2
trichloroacetonitrile

C: 76-03-9
trichloroacetic acid

Conditions

Conditions	Yield
With water for 0.25h; Heating;

...Expand

: 107996-90-7
N-(3,5,5-trimethyl-2-pyrazolin-2-ylcarbonyl)-2,2,2-trichloroacetamide

A: 3786-02-5
3,5,5-trimethyl-4,5-dihydro-1H-pyrazole-1-carboxamide

B: 76-03-9
trichloroacetic acid

Conditions

Conditions	Yield
With water Heating;

: Trichloro-acetic acid 1-phenoxy-ethyl ester

A: 75-07-0
acetaldehyde

B: 108-95-2
phenol

C: 76-03-9
trichloroacetic acid

Conditions

Conditions	Yield
With water In acetonitrile Rate constant; var. pH;

...Expand

: 598-99-2
Methyl trichloroacetate

: 76-03-9
trichloroacetic acid

Conditions

Conditions	Yield
With lithium hydroxide In water; isopropyl alcohol at -7℃; for 0.25h;

: 13005-97-5
Trichloressigsaeure-β-nitroaethylester

A: 3638-64-0
1-nitroethylene

B: 76-03-9
trichloroacetic acid

Conditions

Conditions	Yield
at 225℃; Rate constant; various initial vapour pressures and surface-to-volume ratios; activation energy E, logA, ΔS(excit.); other temp.;

: 7664-93-9
sulfuric acid

: 2,4,6-tris-trichloromethyl-1,2,3,4-tetrahydro-[1,3,5]triazine

A: 7664-41-7
ammonia

B: 75-87-6
chloral

C: 76-03-9
trichloroacetic acid

Conditions

Conditions	Yield
higher-melting form of 2,4,6-tris-trichloromethyl-1,2,3,4-tetrahydro-<1,3,5>triazine;

...Expand

: 2-chloro-2,5-bis-trichloromethyl-[1,3]dioxolan-4-one

: 7732-18-5
water

A: 76-03-9
trichloroacetic acid

B trichlorolactic acid: trichlorolactic acid

...Expand

: 7732-18-5
water

: 7726-95-6
bromine

: 75-87-6
chloral

: 76-03-9
trichloroacetic acid

Conditions

Conditions	Yield
at 30℃; Kinetics;
at 40℃; Kinetics;

...Expand

: 7697-37-2
nitric acid

: 75-87-6
chloral

: 76-03-9
trichloroacetic acid

: 7732-18-5
water

: 76-02-8
Trichloroacetyl chloride

: 76-03-9
trichloroacetic acid

: 75-87-6
chloral

magnesium aluminium ethylate: magnesium aluminium ethylate

A: 115-20-8
1,1,1-trichloroethanol

B: 76-03-9
trichloroacetic acid

...Expand

: 75-87-6
chloral

oxygen: oxygen

A: 7647-01-0
hydrogenchloride

B: 75-44-5
phosgene

C: 15719-64-9, 15719-76-3, 97762-63-5
methylammonium carbonate

D: 76-03-9
trichloroacetic acid

Conditions

Conditions	Yield
im Dunkeln und im Sonnenlicht oder im kuenstlichen Licht;

...Expand

: 112981-12-1
trianilinophosphazobenzene

: 76-03-9
trichloroacetic acid

: tetraanilinophosphonium trichloroacetate

Conditions

Conditions	Yield
	100%

: dibenzyl-(7-oxa-bicyclo[4.1.0]hept-2-yl)-amine

: 76-03-9
trichloroacetic acid

: trichloro-acetic acid 3-dibenzylamino-2-hydroxy-cyclohexyl ester

Conditions

Conditions	Yield
Heating;	100%

: (1RS,2SR,3SR)-1,2-epoxy-3-(N,N-dibenzylamino)cyclohexane

: 76-03-9
trichloroacetic acid

: (1RS,2RS,3RS)-1-trichloroacetoxy-2-hydroxy-3-(N,N-dibenzylamino)cyclohexane

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 16h;	100%
In dichloromethane at 20℃; for 16h; optical yield given as %de; diastereoselective reaction;	100%

: 212203-90-2
(RS)-3-(N,N-dibenzylamino)cyclohex-1-ene

: 76-03-9
trichloroacetic acid

: (1RS,2RS,3RS)-1-trichloroacetoxy-2-hydroxy-3-(N,N-dibenzylamino)cyclohexane

Conditions

Conditions	Yield
Stage #1: (RS)-3-(N,N-dibenzylamino)cyclohex-1-ene; trichloroacetic acid In dichloromethane at 20℃; for 0.0833333h; Stage #2: With 3-chloro-benzenecarboperoxoic acid In dichloromethane; water at 20℃; for 21h; optical yield given as %de; diastereoselective reaction;	100%
Stage #1: (RS)-3-(N,N-dibenzylamino)cyclohex-1-ene; trichloroacetic acid In dichloromethane at 20℃; for 0.5h; Stage #2: With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 20℃;	40%
Stage #1: (RS)-3-(N,N-dibenzylamino)cyclohex-1-ene; trichloroacetic acid In dichloromethane at 20℃; for 0.0833333h; Stage #2: With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 20℃; for 21h; Kinetics; Mechanism;

: 1449380-30-6
(S)-3,3-dimethyl-1,1-diphenyl-1-(trimethylsilyloxy)butan-2-amine

: 76-03-9
trichloroacetic acid

: 1449380-37-3
(S)-3,3-dimethyl-1,1-diphenyl-1-(trimethylsilyloxy)butan-2-amine trifluoroacetic acid salt

Conditions

Conditions	Yield
In dichloromethane at 0℃;	100%

: 144054-70-6
(2S)-2-amino-3,3-dimethyl-1,1-diphenyl-1-butanol

: 76-03-9
trichloroacetic acid

: (S)-1-hydroxy-3,3-dimethyl-1,1-diphenylbutan-2-amininium trichloroacetate

Conditions

Conditions	Yield
In dichloromethane at 0℃; for 0.0833333h; Inert atmosphere;	100%

: C27H26BrNO2*C24H32O8

: 76-03-9
trichloroacetic acid

: C27H26BrNO2*C24H32O8*C2HCl3O2

Conditions

Conditions	Yield
In chloroform at 20℃; for 0.166667h; Inert atmosphere;	100%

: C27H32N2O2*C24H32O8

: 76-03-9
trichloroacetic acid

: C27H32N2O2*C24H32O8*C2HCl3O2

Conditions

Conditions	Yield
In chloroform at 20℃; for 0.0833333h; Time; Solvent;	100%

: C30H34N2O4*C24H32O8

: 76-03-9
trichloroacetic acid

: C30H34N2O4*C24H32O8*C2HCl3O2

Conditions

Conditions	Yield
In chloroform at 20℃; for 0.0833333h; Time; Solvent;	100%

: C27H32N2O2

: 76-03-9
trichloroacetic acid

: C27H32N2O2*C2HCl3O2

Conditions

Conditions	Yield
In chloroform at 20℃; Inert atmosphere;	100%

: C30H34N2O4

: 76-03-9
trichloroacetic acid

: C30H34N2O4*C2HCl3O2

Conditions

Conditions	Yield
In chloroform at 20℃; Inert atmosphere;	100%

: (S)-N-((S)-2,3-dihydroxypropyl)pyrrolidine-2-carboxamide

: 76-03-9
trichloroacetic acid

: C8H16N2O3*C2HCl3O2

Conditions

Conditions	Yield
In methanol at 20℃; for 0.25h;	100%

: 546-68-9
titanium(IV) isopropylate

: 76-03-9
trichloroacetic acid

A: 282535-93-7
Ti(OiPr)3(OOCCCl3)

B: Ti(OiPr)2(OOCCCl3)2

Conditions

Conditions	Yield
In toluene byproducts: 2-propanol; a soln. of the acid in toluene added dropwise with stirring to a soln. of Ti(OiPr)4 in toluene (1:1 stoichiometric ratio) over 1/2 h at room temp., react. mixt. stirred for 6 h to give a light red soln.; volatiles removed in vacuo, solid residue given, elem. anal.;	A 99.5% B 99.9%

...Expand

: mercury(II) oxide

: 76-03-9
trichloroacetic acid

: 15873-63-9, 20464-21-5
mercury(II) trichloroacetate

Conditions

Conditions	Yield
With calcium carbonate In methanol byproducts: H2O; addn. of oxide so soln. of acid, stirring, addn. of reagent; evapn. (vac.);	99%

: 14717-56-7
Zr(isopropoxide)4(HOiPr)

: 76-03-9
trichloroacetic acid

: 914462-27-4
Zr2(μ-O(i)Pr)2(μ-OOCCCl3)(O(i)Pr)4(OOCCCl3)(HO(i)Pr)

Conditions

Conditions	Yield
In toluene soln. Cl3CCOOH in toluene was added dropwise to soln. Zr complex in toluene over 33 min at room temp. and stirred for 6 h; solvent was removed in vacuo, residue was dissolved in toluene and crystd. at -20°C; elem. anal.;	99%
In toluene soln. Cl3CCOOH in toluene was added dropwise to soln. Zr complex in toluene over 33 min at room temp. and stirred for 6 h; solvent was removed in vacuo, residue was dissolved in toluene and crystd. at -20°C; elem. anal.;	74.06%

: 1254833-35-6
2,5-dimethyl-4-(N,N-dibenzylamino)hex-3-ene

: 76-03-9
trichloroacetic acid

: (RS,SR)-1-N,N-dibenzylamino-2,3-epoxy-1-isopropyl-3-methylbutane

Conditions

Conditions	Yield
Stage #1: 2,5-dimethyl-4-(N,N-dibenzylamino)hex-3-ene; trichloroacetic acid In dichloromethane at 20℃; for 0.5h; Stage #2: With water; 3-chloro-benzenecarboperoxoic acid In dichloromethane at 20℃; for 21h; Stage #3: With sodium hydrogencarbonate In dichloromethane; water optical yield given as %de; diastereoselective reaction;	99%

: 76-03-9
trichloroacetic acid

: barium(II) trichloroacetate

Conditions

Conditions	Yield
With barium carbonate In water at 20℃;	99%

: 905707-78-0
3-methyl-1-sulphonic acid imidazolium chloride

: 76-03-9
trichloroacetic acid

: 3-methyl-1-sulfoimidazolium trichloroacetate

Conditions

Conditions	Yield
In neat (no solvent) at 20℃;	99%

: 67-56-1
methanol

: 76-03-9
trichloroacetic acid

: 598-99-2
Methyl trichloroacetate

Conditions

Conditions	Yield
With iron(III) sulfate; sulfuric acid for 3h; Heating;	98%
With sulfuric acid

: 107-18-6
allyl alcohol

: 76-03-9
trichloroacetic acid

: 6304-34-3
trichloro-acetic acid allyl ester

Conditions

Conditions	Yield
With sulfuric acid In benzene at 115℃; for 4h;	98%
With sulfuric acid	75%
With sulfuric acid In benzene Reflux;	75%
at 19.9℃; Thermodynamic data; Kinetics; Rate constant; in the presence of p-toluenesulfonic acid, further temperatures;

: 603-33-8
triphenylbismuthane

: 76-03-9
trichloroacetic acid

: 28719-49-5
triphenylbismuth bis(trichloroacetate)

Conditions

Conditions	Yield
With H2O2 In diethyl ether byproducts: H2O; soln. of CCl3COOH and 27.5% H2O2 in ether mixed with Ph3Bi in ether; reacted for 24 h; identified by elem. anal., characterized by IR spectrum;	98%
With tert.-butylhydroperoxide In diethyl ether byproducts: t-BuOH, H2O; t-BuOOH (5 mmol) was added dropwise to a stirred cold (5-10°C) soln. of Ph3Bi (5 mmol) and carboxylic acid (10 mmol) in Et2O; the mixt. was kept in the dark for 24 h at room temp.; the solvent was distd. off under reduced pressure; purifn. by recrystn. (CHCl3/hexane);	30%
With H2O2 In diethyl ether

: basic copper carbonate monohydrate

: 76-03-9
trichloroacetic acid

: copper(II) trichloroacetate trihydrate

Conditions

Conditions	Yield
With Raney nickel In water copper carbonate was added to an aq. soln. of CCl3COOH in a stoich. ratio at 40°C to yield a blue ppt.; recrystn. from water;;	98%

: zinc(II) oxide

: 76-03-9
trichloroacetic acid

: zinc (II) trichloroacetate

Conditions

Conditions	Yield
In H2O Cl3CCOOH was added to suspn. ZnO in H2O, mixt. was stirred until ZnO dissolved completely; mixt. was filtered, mother liquor was evapd. in vac., dried for 8 h at 2Torr and, 50°C; elem. anal.;	98%

: 1254833-32-3
1-(N,N-dibenzylamino)-1-phenyl-3-methylbut-2-ene

: 76-03-9
trichloroacetic acid

: (RS,SR)-1-N,N-dibenzylamino-2,3-epoxy-3-methyl-1-phenylbutane

Conditions

Conditions	Yield
Stage #1: 1-(N,N-dibenzylamino)-1-phenyl-3-methylbut-2-ene; trichloroacetic acid In dichloromethane at 20℃; for 0.5h; Stage #2: With water; 3-chloro-benzenecarboperoxoic acid In dichloromethane at 20℃; for 1h; Stage #3: With sodium hydrogencarbonate In dichloromethane; water optical yield given as %de; diastereoselective reaction;	98%

: 873376-17-1
titanium tetra(sec-butoxide)

: 76-03-9
trichloroacetic acid

: C12H18Cl6O6Ti

Conditions

Conditions	Yield
In toluene at 25℃; for 10h; Schlenk technique;	98%

: tetrabutoxytitanium

: 76-03-9
trichloroacetic acid

: C14H27Cl3O5Ti

Conditions

Conditions	Yield
In toluene at 25℃; for 10h; Schlenk technique;	98%

: 760-67-8
2-ethylhexanoic acid chloride

: 76-03-9
trichloroacetic acid

: (trichloroacetyl 2-ethylhexanoyl)anhydride

Conditions

Conditions	Yield
pentabutyl propyl guanidinium chloride; silica gel In neat (no solvent) at 80℃; for 8h;	97%

: 104-53-0
3-phenyl-propionaldehyde

: 76-03-9
trichloroacetic acid

: 82772-38-1
α-(trichloromethyl)benzenepropanol

Conditions

Conditions	Yield
With sodium trichloroacetate In N,N-dimethyl-formamide at 23℃; for 0.5h;	97%
With sodium trichloroacetate In N,N-dimethyl-formamide at 25 - 35℃; Decarboxylation; addition;	90%
With sodium trichloroacetate In N,N-dimethyl-formamide at 0 - 20℃;	53%

: 64267-60-3
4a,10a-ethylenedioxy-1,3,10-trimethyl-4a,5,10,10a-tetrahydroalloxazine

: 76-03-9
trichloroacetic acid

: 89027-67-8
1,3,10-trimethylalloxazinium trichloroacetate

Conditions

Conditions	Yield
In diethyl ether; acetonitrile Ambient temperature;	97%

: dimethyl 3,6-dihydro-2H-thiopyran-2,2-dicarboxylate

: 76-03-9
trichloroacetic acid

: dimethyl cis-5-[2,2,2-(trichloroacetyloxy)methyl]-4-iodotetrahydrothiophene-2,2-dicarboxylate

Conditions

Conditions	Yield
With N-iodo-succinimide In chloroform at 20℃; for 2h;	97%

Trichloroacetic acid Specification

The Trichloroacetic acid, also known as trichloroethanoic acid, is an organic compound with the formula C₂HCl₃O₂. It belongs to the product categories of Biotech Solvents; Solvents. Its EINECS registry number is 200-927-2. With the CAS registry number 76-03-9, its IUPAC name is 2,2,2-trichloroacetic acid. What's more, this chemical is a white solid.

Physical properties of Trichloroacetic acid: (1)ACD/LogP: 1.73; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)Index of Refraction: 1.518; (9)Molar Refractivity: 27.392 cm³; (10)Molar Volume: 90.377 cm³; (11)Surface Tension: 53.074 dyne/cm; (12)Density: 1.808 g/cm³; (13)Flash Point: 66.344 °C; (14)Enthalpy of Vaporization: 47.694 kJ/mol; (15)Boiling Point: 196.499 °C at 760 mmHg; (16)Vapour Pressure: 0.17 mmHg at 25°C.

Preparation: It is prepared by the reaction of chlorine with acetic acid in the presence of a suitable catalyst.

CH₃COOH + 3Cl₂ → CCl₃COOH + 3HCl

Uses of Trichloroacetic acid: It is widely used in biochemistry for the precipitation of macromolecules such as proteins, DNA and RNA. Its sodium salt is used as a weedkiller. Solutions containing trichloroacetic acid as an ingredient are used for cosmetic treatments such as chemical peels and tattoo removal and the treatment of warts, including genital warts. It can kill normal cells as well. It is considered safe for use for this purpose during pregnancy.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(=O)(C(Cl)(Cl)Cl)O
(2)InChI: InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)
(3)InChIKey: YNJBWRMUSHSURL-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	subcutaneous	270mg/kg (270mg/kg)		Drugs in Japan Vol. 6, Pg. 879, 1982.
mouse	LDLo	intraperitoneal	500mg/kg (500mg/kg)		"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 214, 1954.

Product Name

Trichloroethanoic acid

Synthetic route

Trichloroacetic acid Specification

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