3,5-Dichlorobenzoic acid
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3,5-Dichlorobenzoic acid ??
- ???
- 184-187 °C (lit.)
- ?? ?
- 273.68°C (rough estimate)
- ??
- 1.4410 (rough estimate)
- ???
- 1.4590 (estimate)
- ?? ??
- Sealed in dry,Room Temperature
- ?? ?? (pKa)
- 3.46±0.10(Predicted)
- ??? ??
- powder to crystal
- ??
- ???? ?? ??
- ???
- 147.1mg/L(?? ???)
- BRN
- 2044776
- InChI
- InChI=1S/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
- InChIKey
- CXKCZFDUOYMOOP-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC(Cl)=CC(Cl)=C1
- CAS ??????
- 51-36-5(CAS DataBase Reference)
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- ?? ? ?? ??
- ?? ? ???? ?? (GHS)
| ??? ?? | Xi | ||
|---|---|---|---|
| ?? ???? ?? | 36/37/38 | ||
| ????? | 26-37/39 | ||
| WGK ?? | 3 | ||
| RTECS ?? | DG7350000 | ||
| TSCA | TSCA listed | ||
| ?? ?? | IRRITANT | ||
| HS ?? | 29163990 | ||
| ???? ??? | 11 - Combustible Solids | ||
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
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| ?? | mouse,LD50,intraperitoneal,237mg/kg (237mg/kg),BEHAVIORAL: REGIDITYBEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY),Journal of Medicinal Chemistry. Vol. 11, Pg. 1020, 1968. |
3,5-Dichlorobenzoic acid C??? ??, ??, ??
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White to beige powder??
3,5-Dichlorobenzoic acid is used in organic synthesis and pesticide and pharmaceutical intermediates. It can be used to synthesize 3,5-Dichloro-N-(4-hydroxyphenethyl)benzamide and (3,5-Dichlorophenyl)-(4-fluorophenyl)methanone.?? ??
3,5-Dichlorobenzoic acid can be used as a pharmaceutical intermediate compound. Novel cyclopentquinoline and 3,5-dichlorobenzoic acid complexes possess antioxidant and neuroprotective effects, which can be used for the treatment of Alzheimer's disease. In addition, 3,5-Dichlorobenzoic acid has a stimulatory effect on skeletal muscle and can be used in the preparation of benzodiazepine derivatives for treating arrhythmias.??
ChEBI: 3,5-dichlorobenzoic acid is a chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 3 and 5 are substituted by chloro groups. It has a role as a herbicide and a metabolite. It is a chlorobenzoic acid and a dichlorobenzene. It derives from a benzoic acid. It is a conjugate acid of a 3,5-dichlorobenzoate.?? ??
Synthesis of 3,5-dichlorobenzoic acid: 200 parts of ethanol is slowly added to a solution, heated to 70°C, of the diazonium salt prepared as described in Example 1 from 412 parts of 3,5-dichloroanthranilic acid; elimination of nitrogen immediately takes place with evolution of heat. The mixture is stirred for another 15 minutes and 350 parts (92% of theory) of 3,5-dichlorobenzoic acid having a melting point of 176° to 178°C is isolated as described in Example 1.Purification Methods
Crystallise the acid from EtOH and sublime it in a vacuum. [Beilstein 9 IV 1008.] Aromatic acid impurities (to <0.05%) can be removed via the (±)--methylbenzylamine salt as described for 2,4-dichlorobenzoic acid [Ley & Yates Organic Process Research & Development 12 120 2008.]3,5-Dichlorobenzoic acid ?? ?? ? ???
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3,5-Dichlorobenzoic acid ?? ??
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