2,3-Dimethylbenzoic acid
Synonym(s):vic.-o-Xylylic acid
- CAS NO.：603-79-2
- Empirical Formula: C9H10O2
- Molecular Weight: 150.17
- MDL number: MFCD00002479
- EINECS: 210-058-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-04-12 23:00:56
What is 2,3-Dimethylbenzoic acid?
Chemical properties
white to light yellow crystal powder
The Uses of 2,3-Dimethylbenzoic acid
2,3-Dimethylbenzoic Acid is used as a reagent in the synthesis of pyridyl benzamides as inhibitors for the kinetoplastid Trypanosoma brucei. 2,3-Dimethylbenzoic Acid is also used as a reagent in the synthesis of 2,3-Dihydro-1H-isoindole-4-carboxylic Acid (D450070) which is a reagent used in the synthesis of aminoalkylbenzoic acid derivatives for the treatment of faintness attacks, hypokinesia, cranial disorders, neurodegenerative disorders, depression, anxiety, neuropathic pain, neuropathological disorders and sleep disorders.
Definition
ChEBI: A dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 3.
General Description
2,3-Dimethylbenzoic acid shows high binding affinity with antenna-specific odorant-binding protein of the alfalfa plant bug, Adelphocoris lineolatus.
Purification Methods
Crystallise the acid from EtOH. It is volatile in steam. The amide has m 156o (from H2O). [Beilstein 9 H 531, 9 III 2434, 9 IV 1797.]
Properties of 2,3-Dimethylbenzoic acid
| Melting point: | 144-146 °C (lit.) |
| Boiling point: | 271.51°C (estimate) |
| Density | 1.0937 (estimate) |
| refractive index | 1.5188 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | pKa: 3.771(25°C) |
| form | powder to crystal |
| color | White to Almost white |
| BRN | 971590 |
| InChI | InChI=1S/C9H10O2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H,10,11) |
| CAS DataBase Reference | 603-79-2(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, 2,3-dimethyl-(603-79-2) |
Safety information for 2,3-Dimethylbenzoic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 2,3-Dimethylbenzoic acid
| InChIKey | RIZUCYSQUWMQLX-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=CC(C)=C1C |
New Products
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