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| | 3,5-Dichlorobenzoic acid Basic information |
| Product Name: | 3,5-Dichlorobenzoic acid | | Synonyms: | BENZOIC ACID, 3,5-DICHLORO-;BUTTPARK 45\07-34;RARECHEM AL BO 0040;3.5-Dichlorobe;3, 5-Dichlorobenzoic acid, MTBE;3,5-Dichlorobenzoic Acid Standard;3,5-Dichlorobenzoic Acid, 97+%;3,5-DICHLOROBENZOIC ACID | | CAS: | 51-36-5 | | MF: | C7H4Cl2O2 | | MW: | 191.01 | | EINECS: | 200-092-4 | | Product Categories: | Building Blocks;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks;FINE Chemical & INTERMEDIATES;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Organic acids;Alpha sort;D;DAlphabetic;DIA - DIC;Pesticides&Metabolites;C7;Carbonyl Compounds;Carboxylic Acids;500 Series Drinking Water Methods;DIA - DICEPA;Method 552;Volatiles/ Semivolatiles;bc0001 | | Mol File: | 51-36-5.mol |  |
| | 3,5-Dichlorobenzoic acid Chemical Properties |
| Melting point | 184-187 °C (lit.) | | Boiling point | 273.68°C (rough estimate) | | density | 1.4410 (rough estimate) | | refractive index | 1.4590 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | form | powder to crystal | | pka | 3.46±0.10(Predicted) | | color | White to Almost white | | Water Solubility | 147.1mg/L(temperature not stated) | | 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 DataBase Reference | 51-36-5(CAS DataBase Reference) | | NIST Chemistry Reference | 3,5-Dichlorobenzoic acid(51-36-5) | | EPA Substance Registry System | 3,5-Dichlorobenzoic acid (51-36-5) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-37/39 | | WGK Germany | 3 | | RTECS | DG7350000 | | HazardClass | IRRITANT | | HS Code | 29163990 | | Toxicity | 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 Usage And Synthesis |
| Chemical Properties | White to beige powder | | Uses | 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. | | Definition | 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. | | Preparation | 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. | | Synthesis Reference(s) | Journal of the American Chemical Society, 73, p. 455, 1951 DOI: 10.1021/ja01145a145 | | 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 Preparation Products And Raw materials |
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