Name | 2,3-Dichlorobenzoic acid |
Synonyms | 2,3-Dichlorobenzoic TIMTEC-BB SBB003641 RARECHEM AL BO 0323 2,3-dichlorobenzoate 2,3-Dichlorbenzoesure 2,3-Dichlorobenzoicacid 2,3-dichloro-benzoicaci 2,3-Dichlorobenzoic acid 2,3-DICHLOROBENZOIC ACID Lamotrigine Related Compound B (USP) 2,3-DICHLOROBENZOIC ACID PESTANAL, 250 M 2,3Dichlorobenzoic acid (Lamotrigine Related Compound B) |
CAS | 50-45-3 |
EINECS | 200-039-5 |
InChI | InChI=1/C7H4Cl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)/p-1 |
InChIKey | QAOJBHRZQQDFHA-UHFFFAOYSA-N |
Molecular Formula | C7H4Cl2O2 |
Molar Mass | 191.01 |
Density | 1.4410 (rough estimate) |
Melting Point | 168-170 °C (lit.) |
Boling Point | 273.68°C (rough estimate) |
Flash Point | 139.4°C |
Water Solubility | slightly soluble |
Solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
Vapor Presure | 0.000326mmHg at 25°C |
Appearance | White crystal |
Color | White to Off-White |
BRN | 1946217 |
pKa | 2.53±0.25(Predicted) |
Storage Condition | Sealed in dry,Room Temperature |
Refractive Index | 1.4590 (estimate) |
MDL | MFCD00002413 |
Physical and Chemical Properties | Melting point 166-170°C water-soluble snyly soluble |
Hazard Symbols | Xi - Irritant |
Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection S36 - Wear suitable protective clothing. S24/25 - Avoid contact with skin and eyes. |
WGK Germany | 2 |
RTECS | DG6475000 |
HS Code | 29163990 |
Hazard Class | IRRITANT |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
introduction | halogenated formic acid and its derivatives are a kind of important chemical and pharmaceutical intermediates, which are widely used as raw materials for producing fungicides, pesticides, dyes and drugs, of which 3, 5-dichlorobenzoic acid is one. 2, 3-dichlorobenzoic acid is a synthetic specific antiepileptic drug lamotrigine (Lamotrigine), namely 3, 5-diamino-6-(2, 3-dichlorophenyl)-1,2, 4-triazine And other drugs for the treatment of central nervous system disorders such as 2, 4-diamino-6-(2, 3-dichlorophenyl) pyrimidine are key intermediates. |
use | halogenated formic acid and its derivatives are a kind of important chemical and pharmaceutical intermediates, which are widely used as raw materials for producing fungicides, pesticides, dyes and drugs, of which 3, 5-dichlorobenzoic acid is one. 2, 3-dichlorobenzoic acid is a synthetic specific antiepileptic drug lamotrigine (Lamotrigine), namely 3, 5-diamino-6-(2, 3-dichlorophenyl)-1,2, 4-triazine And other drugs for the treatment of central nervous system disorders such as 2, 4-diamino-6-(2, 3-dichlorophenyl) pyrimidine are key intermediates. for the synthesis of felodipine, clovitin, lamotrigine and other drugs |
application | 2,3-dichlorobenzoic acid is a carboxylic acid derivative, which can be used as a pharmaceutical intermediate. |
preparation method | 100.0g benzonitrile (content 99%), respectively add 300g of chloroform and 100g of ethanol, then add 1209.4g of sodium hypochlorite (content 13%), use 37% hydrochloric acid to keep the pH value of the system at 3.0-4.0, react to a controlled content of 3,5-dichlorobenzonitrile at 55-60 ℃, and then under normal pressure, 30% sodium hydroxide is added to keep the pH value of the reaction system at 12-13,80-90 ℃ for 2.5h, then 37% hydrochloric acid is used to acidify the pH value of the system to 1.0, react at 50-60 ℃ for 1.0h, filter again, and dry at 90-110 ℃ to obtain 182.5g of 3,5-dichlorobenzoic acid with 99.0% content. |
production method | 2, 3-dichlorobenzaldehyde is prepared by diazotization and Melva reaction with 2, 3-dichlorobenzaldehyde, and then 2, 3-dichlorobenzoic acid is prepared by potassium permanganate oxidation with a total yield of 45% |