2,4,6-Trichlorobenzoic acid supplier

Name
2,4,6-Trichlorobenzoic acid
EINECS
CAS No. 50-43-1
Article Data17
CAS DataBase
Density 1.635 g/cm³
Solubility
Melting Point 160-164 °C(lit.)
Formula C₇H₃Cl₃O₂
Boiling Point 329.7 °C at 760 mmHg
Molecular Weight 225.459
Flash Point 153.2 °C
Transport Information
Appearance beige to brown crystalline powder
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2,4,6-Trichlorobenzoicacid;
PSA 37.30000
LogP 3.34500

Synthetic route

: 4136-95-2
2,4,6-trichlorobenzoyl chloride

: 50-43-1
2,4,6-trichlorobenzoic acid

Conditions

Conditions	Yield
With water; triethylamine In acetone at 20℃; for 18h;	99%
With water In acetone at 55℃; Kinetics; Mechanism; Concentration;

: 6324-50-1
1,3,5-trichloro-2-iodobenzene

: 124-38-9
carbon dioxide

A: 50-43-1
2,4,6-trichlorobenzoic acid

B: 2,4,6-trichloro-3-iodobenzoic acid

Conditions

Conditions	Yield
Stage #1: 1,3,5-trichloro-2-iodobenzene With n-butyllithium; (tert-butyldimethylsilyl)-tert-butylamine In tetrahydrofuran at -75℃; Stage #2: carbon dioxide In tetrahydrofuran at -75℃;	A 3.2% B 31%

...Expand

: 6575-05-9
2,4,6-Trichlorobenzonitrile

: 50-43-1
2,4,6-trichlorobenzoic acid

Conditions

Conditions	Yield
With hydrogenchloride at 200℃; im Druckrohr;
With sulfuric acid; water; acetic acid

: 23749-65-7
2,4,6-trichlorotoluene

: 50-43-1
2,4,6-trichlorobenzoic acid

Conditions

Conditions	Yield
With nitric acid

: 108-70-3
1,3,5-trichlorobenzene

: 124-38-9
carbon dioxide

: 50-43-1
2,4,6-trichlorobenzoic acid

Conditions

Conditions	Yield
With n-butyllithium 1.) THF, hexane, -50 deg C, 1.5 h, 2.) Et2O, from -50 deg C to RT; Yield given. Multistep reaction;
With methyllithium 1) THF, -30 deg C to -78 deg C; 2) 3 h; Yield given. Multistep reaction;

: 14379-95-4
α,α,α,2,4,6-hexachlorotoluene

: 50-43-1
2,4,6-trichlorobenzoic acid

Conditions

Conditions	Yield
With sulfuric acid; Methamphetamin 1) 24 h, r.t.; Yield given. Multistep reaction;

: 24473-01-6
3,3-Dimethyl-1-(2,4,6-trichloro-phenoxy)-butan-2-one

: 50-43-1
2,4,6-trichlorobenzoic acid

Conditions

Conditions	Yield
at 285 - 305℃;

2.2.2-trichloro-1-<2.4.6-trichloro-phenyl>-ethanone-(1): 2.2.2-trichloro-1-<2.4.6-trichloro-phenyl>-ethanone-(1)

: 50-43-1
2,4,6-trichlorobenzoic acid

Conditions

Conditions	Yield
With sodium hydroxide

: 7647-01-0
hydrogenchloride

: 6575-05-9
2,4,6-Trichlorobenzonitrile

: 50-43-1
2,4,6-trichlorobenzoic acid

Conditions

Conditions	Yield
at 200℃;

: 23749-65-7
2,4,6-trichlorotoluene

: 7697-37-2
nitric acid

: 50-43-1
2,4,6-trichlorobenzoic acid

: 7664-93-9
sulfuric acid

: 23400-04-6
2,4,6-trichloro-benzoic acid amide

sodium nitrite: sodium nitrite

: 50-43-1
2,4,6-trichlorobenzoic acid

...Expand

: 854651-12-0
2,2-dibromo-1,3-bis-(2,4,6-trichloro-phenyl)-propane-1,3-dione

concentrated aq. NaOH solution: concentrated aq. NaOH solution

: 50-43-1
2,4,6-trichlorobenzoic acid

: 108-70-3
1,3,5-trichlorobenzene

: 50-43-1
2,4,6-trichlorobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: 2,2,6,6-tetramethylpiperidine; BuLi / tetrahydrofuran; hexane / 2 h / -75 °C 1.2: 91 percent / I2 / tetrahydrofuran; hexane / -75 °C 2.1: BuLi; N-tert-butyl-N-(tert-butyldimethylsilyl)amine / tetrahydrofuran / -75 °C 2.2: 3.2 percent / tetrahydrofuran / -75 °C View Scheme
Multi-step reaction with 3 steps 1: 98 percent / 1a) AlCl3, 1b) AlCl3 / 1a) 4 h, r.t., 1b) 4 h, -10 deg C 2: 76.5 percent / AlCl3 / CS2 / 6 h / Ambient temperature 3: 1) 30percent Oleum, 2) ice / 1) 24 h, r.t. View Scheme

: 567-59-9
1,3,5-trichloro-2-(trifluoromethyl)benzene

: 50-43-1
2,4,6-trichlorobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 76.5 percent / AlCl3 / CS2 / 6 h / Ambient temperature 2: 1) 30percent Oleum, 2) ice / 1) 24 h, r.t. View Scheme

: 62-53-3
aniline

: 50-43-1
2,4,6-trichlorobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: CHCl3; chlorine 2: hydrochloric acid / Behandlung der Diazoniumchloridloesung mit Kaliumkupfercyanuerloesung 3: concentrated hydrochloric acid / 200 °C / im Druckrohr View Scheme

: 634-93-5
2,4,6-trichloroaniline

: 50-43-1
2,4,6-trichlorobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: hydrochloric acid / Behandlung der Diazoniumchloridloesung mit Kaliumkupfercyanuerloesung 2: concentrated hydrochloric acid / 200 °C / im Druckrohr View Scheme

: 537-92-8
3-Methylacetanilide

: 50-43-1
2,4,6-trichlorobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: hydrochloric acid; glacial acetic acid 2: sulfuric acid 4: HNO3 View Scheme

: 5400-76-0
3-Methyl-2,4,6-trichloroaniline

: 50-43-1
2,4,6-trichlorobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: HNO3 View Scheme

: 60093-98-3
acetic acid-(2,4,6-trichloro-3-methyl-anilide)

: 50-43-1
2,4,6-trichlorobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sulfuric acid 3: HNO3 View Scheme

: 88-06-2
2,4,6-Trichlorophenol

: 50-43-1
2,4,6-trichlorobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: K2CO3 / acetone 2: 285 - 305 °C View Scheme

: C22H17Cl3O4

: 50-43-1
2,4,6-trichlorobenzoic acid

Conditions

Conditions	Yield
In ethanol; dichloromethane at 25℃; Kinetics;

: 50-43-1
2,4,6-trichlorobenzoic acid

: 217479-60-2
(2,4,6-trichlorophenyl)methanol

Conditions

Conditions	Yield
Stage #1: 2,4,6-trichlorobenzoic acid With borane-dimethyl sulfide complex In tetrahydrofuran at 22℃; Inert atmosphere; Cooling with ice; Reflux; Stage #2: With methanol In tetrahydrofuran	100%
With aluminium(III) triflate; tris(2,4-pentanedionato)ruthenium(III); hydrogen; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine] In methanol; water; toluene at 160℃; under 45004.5 Torr; for 24h; Autoclave;	67 %Chromat.

: 186581-53-3, 908094-01-9
diazomethane

: 50-43-1
2,4,6-trichlorobenzoic acid

: 86569-78-0
methyl 2,4,6-trichlorobenzoate

Conditions

Conditions	Yield
In diethyl ether	94%

: 50-43-1
2,4,6-trichlorobenzoic acid

: 74-88-4
methyl iodide

: 86569-78-0
methyl 2,4,6-trichlorobenzoate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 25℃; for 12h;	86%

: 50-43-1
2,4,6-trichlorobenzoic acid

: 16463-22-2
1,3,5-trichloro[2-2H]benzene

Conditions

Conditions	Yield
With water-d2; silver(I) acetate; potassium carbonate In 1-methyl-pyrrolidin-2-one at 120℃; for 16h; Inert atmosphere; regioselective reaction;	71%

: 50-43-1
2,4,6-trichlorobenzoic acid

: 594-31-0, 34716-91-1, 20265-29-6
triphenylantimony dichloride

: Ph3SbCl(2,4,6-trichlorobenzoate)

Conditions

Conditions	Yield
With CH3ONa In toluene 2,4,6-trichlorobenzoic acid and CH3ONa added to soln. of Ph3SbCl2 in toluene under stirring (molar ratio=1:1), mixt. refluxed for 8 h; soln. filtered, filtrate gradually evapd. under vac., recrystn. from petroleum ether/CH2Cl2 (1/1); elem. anal.;	68%

: 50-43-1
2,4,6-trichlorobenzoic acid

: 594-31-0, 34716-91-1, 20265-29-6
triphenylantimony dichloride

: Ph3Sb(2,4,6-trichlorobenzoate)2

Conditions

Conditions	Yield
With CH3ONa In toluene 2,4,6-trichlorobenzoic acid and CH3ONa added to soln. of Ph3SbCl2 in toluene under stirring (molar ratio=2:1), mixt. refluxed for 8 h; soln. filtered, filtrate gradually evapd. under vac., recrystn. from petroleum ether/CH2Cl2 (1/1); elem. anal.;	65%

: 50-43-1
2,4,6-trichlorobenzoic acid

: 16894-69-2
tetraphenylantimony(V) bromide

: Ph4Sb(2,4,6-trichlorobenzoate)

Conditions

Conditions	Yield
With CH3ONa In toluene 2,4,6-trichlorobenzoic acid and CH3ONa added to soln. of Ph4SbBr in toluene under stirring (molar ratio=1:1), mixt. refluxed for 8 h; soln. filtered, filtrate gradually evapd. under vac., recrystn. from petroleum ether/CH2Cl2 (1/1); elem. anal.;	61%

: 50-43-1
2,4,6-trichlorobenzoic acid

: 100-46-9
benzylamine

: C7H3Cl3O2*C7H9N

Conditions

Conditions	Yield
In methanol at 20℃; for 288h;	60.13%

: 2343-89-7
methyl 2-fluoroprop-2-enoate

: 50-43-1
2,4,6-trichlorobenzoic acid

: (Z)-methyl 2-fluoro-3-(2,4,6-trichlorophenyl)acrylate

Conditions

Conditions	Yield
With palladium(II) trifluoroacetate; silver carbonate In 1,4-dioxane; dimethyl sulfoxide at 120℃; for 12h; Sealed tube; diastereoselective reaction;	40%

: 504-24-5
4-aminopyridine

: 50-43-1
2,4,6-trichlorobenzoic acid

: 1258291-82-5
2,4,6-trichloro-N-(pyridin-4-yl)benzamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 20℃; Inert atmosphere;	24%

: 36997-05-4
2-methoxyacrylic acid ethyl ester

: 50-43-1
2,4,6-trichlorobenzoic acid

A: 108-70-3
1,3,5-trichlorobenzene

B: (Z)-ethyl 2-methoxy-3-(2,4,6-trichlorophenyl)acrylate

C: (E)-ethyl 2-methoxy-3-(2,4,6-trichlorophenyl)acrylate

D: diethyl 2,5-dimethoxyhexa-2,4-dienedioate

Conditions

Conditions	Yield
With palladium(II) trifluoroacetate; silver carbonate In 1,4-dioxane; dimethyl sulfoxide at 130℃; for 24h; Solvent; Sealed tube; Inert atmosphere; stereoselective reaction;	A n/a B 24% C 16% D n/a

...Expand

: 36997-05-4
2-methoxyacrylic acid ethyl ester

: 50-43-1
2,4,6-trichlorobenzoic acid

: (Z)-ethyl 2-methoxy-3-(2,4,6-trichlorophenyl)acrylate

Conditions

Conditions	Yield
With palladium(II) trifluoroacetate; silver carbonate In N,N-dimethyl-formamide at 130℃; for 24h; Sealed tube; Inert atmosphere; stereoselective reaction;	20%

: 50-43-1
2,4,6-trichlorobenzoic acid

: 14861-17-7
2,4-dichloro-4'-aminodiphenyl ether

: 2,4,6-trichloro-N-(4-(2,4-dichlorophenoxy)phenyl)benzamide

Conditions

Conditions	Yield
Stage #1: 2,4,6-trichlorobenzoic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: 2,4-dichloro-4'-aminodiphenyl ether In N,N-dimethyl-formamide	13%

: 50-43-1
2,4,6-trichlorobenzoic acid

: 4136-95-2
2,4,6-trichlorobenzoyl chloride

Conditions

Conditions	Yield
With phosphorus pentachloride
With phosphorus pentachloride
With thionyl chloride

2,4,6-Trichlorobenzoic acid Chemical Properties

Molecule structure of 2,4,6-Trichlorobenzoic acid (50-43-1):

IUPAC Name: 2,4,6-Trichlorobenzoic acid
Molecular Weight: 225.45652 g/mol
Molecular Formula: C₇H₃Cl₃O₂
Density: 1.635 g/cm³
Melting Point: 160-164 °C(lit.)
Boiling Point: 329.7 °C at 760 mmHg
Flash Point: 153.2 °C
Index of Refraction: 1.611
Molar Refractivity: 47.86 cm³
Molar Volume: 137.8 cm³
Polarizability: 18.97×10^-24 cm³
Surface Tension: 56 dyne/cm
Enthalpy of Vaporization: 60.4 kJ/mol
Vapour Pressure: 7.02E-05 mmHg at 25 °C
XLogP3: 2.9
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Exact Mass: 223.919862
MonoIsotopic Mass: 223.919862
Topological Polar Surface Area: 37.3
Heavy Atom Count: 12
Complexity: 174
Canonical SMILES: C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl
InChI: InChI=1S/C7H3Cl3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
InChIKey: RAFFVQBMVYYTQS-UHFFFAOYSA-N
Product Categories: FINE Chemical & INTERMEDIATES;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Organic acids;C7;Carbonyl Compounds;Carboxylic Acids

2,4,6-Trichlorobenzoic acid Uses

2,4,6-Trichlorobenzoic acid (50-43-1) is used for the synthesis of medicine, insecticides and fungicides.

2,4,6-Trichlorobenzoic acid Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	subcutaneous	1200mg/kg (1200mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Biochemical Pharmacology. Vol. 13, Pg. 1538, 1964.

2,4,6-Trichlorobenzoic acid Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
RTECS: DH8050000
Hazard Note: Irritant

2,4,6-Trichlorobenzoic acid Specification

2,4,6-Trichlorobenzoic acid (50-43-1) is also named as 4-09-00-01010 (Beilstein Handbook Reference) ; AI3-33271 ; BRN 1874127 ; Benzoic acid, 2,4,6-trichloro- . 2,4,6-Trichlorobenzoic acid (50-43-1) is beige to light brown crystalline powder.

Product Name

2,4,6-Trichlorobenzoic acid

Synthetic route

2,4,6-Trichlorobenzoic acid Chemical Properties

2,4,6-Trichlorobenzoic acid Uses

2,4,6-Trichlorobenzoic acid Toxicity Data With Reference

2,4,6-Trichlorobenzoic acid Safety Profile

2,4,6-Trichlorobenzoic acid Specification

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