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2,3,6-TBA · CAS 50-31-7 · C7H3Cl3O2. UNII VI4ST7ZIQG. Melting Point: 124.5 °C; Solubility: In water, 7.7X10+3 mg/L at 22 °C; Vapor Pressure: 0.00055 [mmHg].
| CAS Registry Number | 50-31-7 |
|---|---|
| PubChem CID | 5759 |
| Molecular formula | C7H3Cl3O2 |
| IUPAC name | 2,3,6-trichlorobenzoic acid |
| UNII (FDA) | VI4ST7ZIQG |
| Molecular Weight | 225.5 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 223.919862 |
| Monoisotopic Mass | 223.919862 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Melting Point | 124.5 °C |
|---|---|
| Solubility | In water, 7.7X10+3 mg/L at 22 °C |
| Vapor Pressure | 0.00055 [mmHg] |
| Vapor Pressure | 5.5X10-4 mm Hg at 25 °C |
| LogP | 4.34 |
| Reported hazard statements | H302, H411, H401 |
|---|
H302: Harmful if swallowed [Warning Acute toxicity, oral]
H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
2,3,6-TRICHLOROBENZOIC ACID; 50-31-7; Trysben; 2,3,6-TBA; Tribac; TCBA; 2,3,6-TCBA; Benzoic acid, 2,3,6-trichloro-; Benzak; Trisben; HC 1281; Acide trichlorobenzoique; 2,3,6-TCB; NCI-C60242; 2,3,6-Trichlorbenzoesaeure; DTXSID6040296
CAS 50-31-7; molecular formula C7H3Cl3O2; molecular weight — g/mol.
2,3,6-TRICHLOROBENZOIC ACID, 50-31-7, Trysben, 2,3,6-TBA, Tribac, TCBA.
Hazard statements reported: H302, H411, H401.
Melting Point: 124.5 °C; Solubility: In water, 7.7X10+3 mg/L at 22 °C; Vapor Pressure: 0.00055 [mmHg]; Vapor Pressure: 5.5X10-4 mm Hg at 25 °C.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.