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| | 2,3-Dichlorobenzoic acid Basic information |
| Product Name: | 2,3-Dichlorobenzoic acid | | Synonyms: | Lamotrigine Related Compound B (USP);2,3Dichlorobenzoic acid (Lamotrigine Related Compound B)
;2,3-dichloro-benzoicaci;RARECHEM AL BO 0323;TIMTEC-BB SBB003641;2,3-DICHLOROBENZOIC ACID;2,3-DICHLOROBENZOIC ACID PESTANAL, 250 M;2,3-Dichlorobenzoicacid,98% | | CAS: | 50-45-3 | | MF: | C7H4Cl2O2 | | MW: | 191.01 | | EINECS: | 200-039-5 | | Product Categories: | Alpha sort;D;DAlphabetic;DIA - DIC;Pesticides&Metabolites;C7;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzoic acid;Organic acids;Carbonyl Compounds;Carboxylic Acids;acid;intermediate | | Mol File: | 50-45-3.mol |  |
| | 2,3-Dichlorobenzoic acid Chemical Properties |
| Melting point | 168-170 °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 | | solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) | | pka | 2.53±0.25(Predicted) | | form | neat | | color | White to Off-White | | Water Solubility | slightly soluble | | BRN | 1946217 | | InChI | InChI=1S/C7H4Cl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11) | | InChIKey | QAOJBHRZQQDFHA-UHFFFAOYSA-N | | SMILES | C(O)(=O)C1=CC=CC(Cl)=C1Cl | | CAS DataBase Reference | 50-45-3(CAS DataBase Reference) | | EPA Substance Registry System | 2,3-Dichlorobenzoic acid (50-45-3) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-37/39-36-24/25 | | WGK Germany | 2 | | RTECS | DG6475000 | | HazardClass | IRRITANT | | HS Code | 29163990 |
| | 2,3-Dichlorobenzoic acid Usage And Synthesis |
| Chemical Properties | white to light yellow crystal powder | | Uses | 2,3-Dichlorobenzoic acid is the key intermediate for antiepileptic drug Lamotrigine (L173250) and other pharmaceuticals for the treatment of central nervous system (CNS) disorders and disease. | | Uses | 2,3-Dichlorobenzoic Acid (Lamotrigine USP Related Compound B) is the key intermediate for antiepileptic drug Lamotrigine (L173250) and other pharmaceuticals for the treatment of central nervous system (CNS) disorders and disease. | | Definition | ChEBI: 2,3-dichlorobenzoic acid is a chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2 and 3 are substituted by chloro groups. It has a role as an impurity and a bacterial xenobiotic metabolite. It is a chlorobenzoic acid and a dichlorobenzene. It is functionally related to a benzoic acid. It is a conjugate acid of a 2,3-dichlorobenzoate. | | General Description | 2,3-Dichlorobenzoic acid is an intermediate metabolite of polychlorinated biphenyls (PCBs). | | Purification Methods | 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.] Crystallise the acid from H2O, aqueous EtOH, or 30% aqueous AcOH and several times from *C6H6, then dry it in vacuo at 40o overnight. The methyl ester has m 35-39o . [Hope & Riley J Chem Soc 123 2478 1923, Lock Monatsh Chem 90 687 1959, Shorter & Mather J Chem Soc 4744 1961, Beilstein 9 II 228, 9 IV 998.] |
| | 2,3-Dichlorobenzoic acid Preparation Products And Raw materials |
| Raw materials | 2,3-Dichlorobenzoic acid sodium salt-->2,3-Dichlorobenzonitrile-->2,3-DICHLOROBENZAMIDE-->2,3-Dichloroaniline-->2,6-Dichlorobenzoic acid-->CARBON DIOXIDE-->2-Chlorobenzoic acid | | Preparation Products | Lamotrigine-->2,3,4-TRICHLOROBENZOIC ACID-->2,3-DICHLOROBENZYL ALCOHOL-->2,3-DICHLOROBENZYL BROMIDE-->2,3-Dichlorophenylacetonitrile-->2,3-Dichlorobenzoyl cyanide |
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