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2,4,6-Trichlorobenzoic acid

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Name

2,4,6-Trichlorobenzoic acid

EINECS N/A
CAS No. 50-43-1 Density 1.635 g/cm3
PSA 37.30000 LogP 3.34500
Solubility N/A 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 N/A Appearance beige to brown crystalline powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 50-43-1 (2,4,6-Trichlorobenzoic acid) Hazard Symbols IrritantXi
Synonyms

2,4,6-Trichlorobenzoicacid;

Article Data 17

2,4,6-Trichlorobenzoic acid Synthetic route

4136-95-2

2,4,6-trichlorobenzoyl chloride

50-43-1

2,4,6-trichlorobenzoic acid

Conditions
ConditionsYield
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
ConditionsYield
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%
6575-05-9

2,4,6-Trichlorobenzonitrile

50-43-1

2,4,6-trichlorobenzoic acid

Conditions
ConditionsYield
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
ConditionsYield
With nitric acid
108-70-3

1,3,5-trichlorobenzene

124-38-9

carbon dioxide

50-43-1

2,4,6-trichlorobenzoic acid

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With sodium hydroxide
7647-01-0

hydrogenchloride

6575-05-9

2,4,6-Trichlorobenzonitrile

50-43-1

2,4,6-trichlorobenzoic acid

Conditions
ConditionsYield
at 200℃;
23749-65-7

2,4,6-trichlorotoluene

7697-37-2

nitric acid

50-43-1

2,4,6-trichlorobenzoic acid

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: IrritantXi
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.

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