| Identification | More | [Name]
2,3,6-TRICHLOROBENZOIC ACID | [CAS]
50-31-7 | [Synonyms]
2,3,6-TBA
2,3,6-TBA(R)
2,3,6-TRICHLOROBENZOIC ACID
BENZAC 1281
HC-1281
'LGC' (1312)
RARECHEM AL BE 0208
TRYSBEN(R)
2,3,6-Tba(the herbicide)
2,3,6-TCB
2,3,6-TCBA
2,3,6-Trichlorbenzoesaeure
2,3,6-trichloro-benzoicaci
Acide trichlorobenzoique
acidetrichlorobenzoique
Benzabar
Benzac
Benzak
Benzoic acid, 2,3,6-trichloro-
Fen-all | [EINECS(EC#)]
200-026-4 | [Molecular Formula]
C7H3Cl3O2 | [MDL Number]
MFCD00053310 | [Molecular Weight]
225.46 | [MOL File]
50-31-7.mol |
| Chemical Properties | Back Directory | [Definition]
A substituted benzoic acid that is a potent synthetic
auxin. | [Appearance]
A solid. | [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 | [form ]
neat | [pka]
1.25±0.25(Predicted) | [color ]
White to Light yellow to Light orange | [Water Solubility ]
7.70g/L(20 ºC) | [Stability:]
Stable under recommended storage conditions., Stable Under Recommended Storage C | [Uses]
An all-purpose, non-selective, pre-emergent
and early post-emergent herbicide. | [CAS DataBase Reference]
50-31-7(CAS DataBase Reference) | [EPA Substance Registry System]
2,3,6-Trichlorobenzoic acid (50-31-7) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,N | [Risk Statements ]
R22:Harmful if swallowed.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . | [Safety Statements ]
S61:Avoid release to the environment. Refer to special instructions safety data sheet . | [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). |
| Hazard Information | Back Directory | [Chemical Properties]
A solid. | [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 |
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