2,6-Dichlorophenylacetic acid
- CAS No.
- 6575-24-2
- Chemical Name:
- 2,6-Dichlorophenylacetic acid
- Synonyms
- 2-(2,6-DICHLOROPHENYL)ACETIC ACID;TIMTEC-BB SBB003503;2,6-Dichlorophenyla;RARECHEM AL BO 0115;Guanfacine Impurity;Guanfacine Impurity 1;2,6-Dichlorphenylessigsure;6-Dichlorophenylacetic acid;2,6-DICHLOROPHENYLACETIC ACID;2,6-DICHLORO BENZENEACETIC ACID
- CBNumber:
- CB2481995
- Molecular Formula:
- C8H6Cl2O2
- Molecular Weight:
- 205.04
- MOL File:
- 6575-24-2.mol
- Modify Date:
- 2023/7/26 18:30:44
| Melting point | 158-161 °C (lit.) |
|---|---|
| Boiling point | 294.45°C (rough estimate) |
| Density | 1.3806 (rough estimate) |
| refractive index | 1.5490 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 3.80±0.10(Predicted) |
| color | White to Off-White |
| BRN | 1952744 |
| InChI | InChI=1S/C8H6Cl2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12) |
| InChIKey | SFAILOOQFZNOAU-UHFFFAOYSA-N |
| SMILES | C1(CC(O)=O)=C(Cl)C=CC=C1Cl |
| CAS DataBase Reference | 6575-24-2(CAS DataBase Reference) |
| NIST Chemistry Reference | 2,6-Dichlorophenylacetic acid(6575-24-2) |
| EPA Substance Registry System | Benzeneacetic acid, 2,6-dichloro- (6575-24-2) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319 | |||||||||
| Precautionary statements | P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 37/39-26-26/37/39-36 | |||||||||
| WGK Germany | 3 | |||||||||
| Hazard Note | Irritant | |||||||||
| HS Code | 29163900 | |||||||||
| NFPA 704 |
|
2,6-Dichlorophenylacetic acid price More Price(4)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| ALFA India | ALF-B21354-22 | 2,6-Dichlorophenylacetic acid, 98% | 6575-24-2 | 100g | ₹13631 | 2022-05-26 | Buy |
| ALFA India | ALF-B21354-14 | 2,6-Dichlorophenylacetic acid, 98% | 6575-24-2 | 25g | ₹8439 | 2022-05-26 | Buy |
| ALFA India | ALF-B21354-06 | 2,6-Dichlorophenylacetic acid, 98% | 6575-24-2 | 5g | ₹1473 | 2022-05-26 | Buy |
| TCI Chemicals (India) | D1897 | 2,6-Dichlorophenylacetic Acid | 6575-24-2 | 25G | ₹7000 | 2022-05-26 | Buy |
2,6-Dichlorophenylacetic acid Chemical Properties,Uses,Production
Chemical Properties
white crystalline powder
Uses
2,6-Dichlorophenylacetic acid is an inhibitor of isopenicillin N synthase (IPNS) and acyl-CoA: 6-APA acyltransferase. 2,6-Dichlorophenylacetic acid is also part of a group of phenylacetate derivatives that have cytostatic activity against tumour cells.
Preparation
The preparation of the 2, 6-dichlorophenylacetic acid:
the method comprises the following steps: 2, 6-dichlorotoluene is used as a raw material, and is catalyzed by a complex catalyst formed by transition metal and a ligand (wherein, a transition metal catalyst precursor is preferably palladium chloride, an oxidant is preferably TBP (tert-butyl peroxy ether), and a ligand is preferably Xantphos (4, 5-bis (diphenylphosphino) -9, 9-dimethyl xanthene)) in the presence of an alcohol and a catalyst and an oxidant to obtain 2, 6-dichlorophenylacetic acid, and the ethyl 2, 6-dichlorophenylacetate is prepared by hydrolysis and acidification, wherein the total yield is 68.4%. See patent document US2013303798, the reaction procedure is described as synthetic route 1.
In the above synthetic route 1, the preparation process of the intermediate ethyl 2, 6-dichlorophenylacetate requires the use of carbon monoxide for high-temperature and high-pressure reaction, and has poor operation safety, high equipment requirement, high cost, and is not favorable for cost reduction and green production of 2, 6-dichlorophenylacetic acid.
Purification Methods
Crystallise the acid from aqueous EtOH. [Beilstein 9 III 2272.]
2,6-Dichlorophenylacetic acid Preparation Products And Raw materials
Raw materials
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chevron_rightPreparation Products
| Supplier | Tel | Country | ProdList | Advantage | Inquiry |
|---|---|---|---|---|---|
| Allchem Lifescience Pvt. Ltd | +919867655500 | Gujarat, India | 971 | 58 | Inquiry |
| CLEANCHEM LABORATORIES LLP | +91 98921 69560 | New Delhi, India | 326 | 58 | Inquiry |
| Reax Chemicals | 08048372701Ext 416 | Hyderabad, India | 4223 | 58 | Inquiry |
| Jyoti Chemical Centre | 09594652522 | Mumbai, India | 215 | 58 | Inquiry |
| Innovative Synthetic Molecules | +91 40-24111684 | Hyderabad, India | 527 | 58 | Inquiry |
| Pharma Affiliates | 172-5066494 | Haryana, India | 6761 | 58 | Inquiry |
| ALLCHEM LIFESCIENCE PVT. LTD | +91 957 472 2211 | New Delhi, India | 322 | 58 | Inquiry |
| CHEMSWORTH | +91-261-2397244 | New Delhi, India | 6707 | 30 | Inquiry |
| CLEARSYNTH LABS LTD. | +91-22-45045900 | Hyderabad, India | 6351 | 58 | Inquiry |
| A.J Chemicals | 91-9810153283 | New Delhi, India | 6124 | 58 | Inquiry |
| Supplier | Advantage |
|---|---|
| Allchem Lifescience Pvt. Ltd | 58 |
| CLEANCHEM LABORATORIES LLP | 58 |
| Reax Chemicals | 58 |
| Jyoti Chemical Centre | 58 |
| Innovative Synthetic Molecules | 58 |
| Pharma Affiliates | 58 |
| ALLCHEM LIFESCIENCE PVT. LTD | 58 |
| CHEMSWORTH | 30 |
| CLEARSYNTH LABS LTD. | 58 |
| A.J Chemicals | 58 |
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