85-34-7
Product Name:
CHLORFENAC
Formula:
C8H5Cl3O2
Synonyms:
2,3,6-Trichlorophenylacetic acid
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless solid; [HSDB] White solid; [MSDSonline] |
|---|---|
| Color/Form | CRYSTALS FROM BENZENE |
| Melting Point | 161 °C |
| Solubility | SOL IN ACETONE, ALC, ETHER |
| Vapor Pressure | 0.0000339 [mmHg] |
| LogP | 3.20 |
| Stability/Shelf Life | No shelf life limitations. Not harmed by freeze thaw cycles. |
| Corrosivity | NON-CORROSIVE |
| Dissociation Constants | pKa= 3.70 |
| Other Experimental Properties | It forms water-soluble salts with alkalis. |
| Chemical Classes | Pesticides -> Herbicides, Chlorophenoxy |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
COMPUTED DESCRIPTORS
| Molecular Weight | 239.5 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 237.935512 g/mol |
| Monoisotopic Mass | 237.935512 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 198 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Chlorfenac is a member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl group has been substituted by chlorines at positions 2, 3, and 6. An obsolete herbicide that was used as its sodium and ammonium salts. It has a role as a herbicide, an agrochemical and a synthetic auxin. It is a trichlorobenzene and a member of phenylacetic acids. It is a conjugate acid of a chlorfenac(1-).