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| | 2,3,6-TRICHLOROBENZOIC ACID Basic information |
| Product Name: | 2,3,6-TRICHLOROBENZOIC ACID | | Synonyms: | 4,4'-di(triphenylen-2-yl)biphenyl;2,3,6-TBA;2,3,6-TBA(R);2,3,6-TRICHLOROBENZOIC ACID;BENZAC 1281;HC-1281;2,3,6-Tba(the herbicide);2,3,6-TCB | | CAS: | 50-31-7 | | MF: | C7H3Cl3O2 | | MW: | 225.46 | | EINECS: | 200-026-4 | | Product Categories: | Aromatic acidAlphabetic;Herbicides;Pesticides&Metabolites;TP - TZ;MOF | | Mol File: | 50-31-7.mol |  |
| | 2,3,6-TRICHLOROBENZOIC ACID Chemical Properties |
| Melting point | 126-127 °C(lit.) | | Boiling point | 324.5±37.0 °C(Predicted) | | density | 1.5599 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | solubility | soluble in Methanol | | pka | 1.25±0.25(Predicted) | | color | White to Light yellow to Light orange | | Water Solubility | 7.70g/L(20 ºC) | | Henry's Law Constant | 4.7×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) | | Stability: | Stable under recommended storage conditions., Stable Under Recommended Storage C | | CAS DataBase Reference | 50-31-7(CAS DataBase Reference) | | EPA Substance Registry System | 2,3,6-Trichlorobenzoic acid (50-31-7) |
| Hazard Codes | Xn,N | | Risk Statements | 22-51/53 | | Safety Statements | 61 | | RIDADR | UN 2811 6.1/PG 1 | | WGK Germany | 2 | | RTECS | DH7700000 | | TSCA | TSCA listed | | HS Code | 2916.39.7900 | | HazardClass | 9 | | Hazardous Substances Data | 50-31-7(Hazardous Substances Data) | | Toxicity | Acute oral LD50 for rats 1,500 mg/kg (Hartley and Kidd, 1987), 650 mg/kg
(RTECS, 1985). |
| | 2,3,6-TRICHLOROBENZOIC ACID Usage And Synthesis |
| Chemical Properties | A solid. | | Uses | Systemic growth-regulator herbicide used for postemergence control of broad-leaved
perennial and annual weeds in cereals and grass seed crops. | | Uses | An all-purpose, non-selective, pre-emergent
and early post-emergent herbicide. | | Definition | A substituted benzoic acid that is a potent synthetic
auxin. | | Hazard | Poison; moderately toxic. | | Safety Profile | Poison by intraperitoneal route.Moderately toxic by ingestion and subcutaneous routes.When heated to decomposition it emits toxic fumes ofClí. Used as an herbicide. | | Synthesis | The general procedure for the synthesis of 2,3,6-trichlorobenzoic acid from 2,3,6-trichlorobenzene was as follows: 2,3,6-trichlorobenzene was added to 100 mL of water, followed by the addition of 0.4 g of tetrabutylammonium chloride as a phase-transfer catalyst, and 63 g of potassium permanganate. The reaction mixture was heated to 50 °C for 6 hours. Upon completion of the reaction, the pH of the filtrate was adjusted to 3 with 5% hydrochloric acid solution (mass percent, as HCl), at which time a large amount of white solid precipitated. The precipitate was collected by filtration, washed with a small amount of water and dried to give 43.3 g of 2,3,6-trichlorobenzoic acid with 95% purity and 96% yield by HPLC. | | Environmental Fate | Photolytic. Plimmer (1970) postulated that the irradiation of 2,3,6-trichlorobenzoic
acid in methanol will undergo dechlorination forming 2,3-, 2,6- and 3,6-dichlorobenzoic
acids. Further irradiation may yield 2- and 3-chlorobenzoic acids which may ultimately
form benzoic acid (Plimmer, 1970).
Chemical/Physical. Reacts with alkalies and amines forming water-soluble salts. | | References | [1] J. Appl. Chem. USSR (Engl. Transl.), 1980, vol. 53, # 12, p. 2076 - 2078
[2] Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation), 1980, vol. 53, # 12, p. 2737 - 2740
[3] Patent: CN105294419, 2016, A. Location in patent: Paragraph 0105; 0106
[4] Journal of the Chemical Society, 1951, p. 1208,1212
[5] Journal of the Chemical Society, 1902, vol. 81, p. 1335 |
| | 2,3,6-TRICHLOROBENZOIC ACID Preparation Products And Raw materials |
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