Chlorfenac

Description

Chlorfenac · CAS 85-34-7 · C8H5Cl3O2. UNII 8SOV3EP1QG. Melting Point: 161 °C; Vapor Pressure: 0.0000339 [mmHg]; Vapor Pressure: 1.7x10-5 mm Hg at 25 °C.

Identification

CAS Registry Number	85-34-7
PubChem CID	6805
Molecular formula	C8H5Cl3O2
IUPAC name	2-(2,3,6-trichlorophenyl)acetic acid
UNII (FDA)	8SOV3EP1QG

Computed Descriptors

Molecular Weight	239.5
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	237.935512
Monoisotopic Mass	237.935512
Topological Polar Surface Area	37.3
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Melting Point	161 °C
Vapor Pressure	0.0000339 [mmHg]
Vapor Pressure	1.7x10-5 mm Hg at 25 °C
LogP	3.20
LogP	3.2
Dissociation Constants	pKa= 3.70
Other Experimental Properties	1.1 Pa @ 100 °C

Physical description & handling notes

• Colorless solid; [HSDB] White solid; [MSDSonline]
• CRYSTALS FROM BENZENE
• COLORLESS SOLID
• SOL IN ACETONE, ALC, ETHER
• 200 MG/L WATER @ 28 °C; SOL IN MOST ORGANIC SOLVENTS
• No shelf life limitations. Not harmed by freeze thaw cycles.

GHS Hazard Classification

Reported hazard statements	H302, H411

Documented Uses

• PREPARED BY CONVERSION OF 2,3,6-TRICHLOROTOLUENE TO THE BENZYL CHLORIDE, THE BENZYL CYANIDE, THEN HYDROLYSIS ... .
• Benzeneacetic acid, 2,3,6-trichloro-: ACTIVE
• ... USUALLY APPLIED AS SODIUM SALT, IS ... ABSORBED PRIMARILY BY ROOTS ... USED TO CONTROL ANNUAL GRASSES, BROAD-LEAVED WEEDS, FIELD BINDWEED, COUCH GRASS & OTHER PERENNIAL WEEDS IN INDUST & OTHER NON-CROP SITUATIONS @ RATES UP TO 18 KG AE/HA. ... ALSO USED FOR PRE-EMERGENCE WEED CONTROL IN SUGARCANE ... .
• EFFECTIVE AGAINST SUBMERGED AQUATIC WEEDS WHEN APPLIED TO SOIL BEFORE FLOODING.
• 52.8% OF A DOSE WAS EXCRETED IN THE URINE OF A LACTATING COW AS 2,3,6-TRICHLOROPHENYLACETIC ACID ESTER GLUCURONIDE & 18.6% AS THE FREE ACID. FENAC COMPONENTS WERE NOT EXCRETED BY EITHER THE FECAL OR MAMMARY ROUTES. FENAC WAS UNMETABOLIZED BY LIVER DRUG-METABOLIZING ENZYMES & RUMINAL MICROFLORA.
• No significant ... percutaneous absorption ... .

Synonyms

Chlorfenac; 85-34-7; Fenac; Kanepar; Fenae; Tri-fen; 2,3,6-TRICHLOROPHENYLACETIC ACID; Trifene; Tri-fene; 2,3,6-Trichlorobenzeneacetic acid; Tri fene; Acetic acid, (2,3,6-trichlorophenyl)-; Benzeneacetic acid, 2,3,6-trichloro-; 2,3,6-TCA; 2,3,6-Trichlorphenylessigsaeure; DTXSID2040284

Frequently Asked Questions

What are the CAS number and molecular formula of Chlorfenac?

CAS 85-34-7; molecular formula C8H5Cl3O2; molecular weight — g/mol.

What other names is Chlorfenac known by?

Chlorfenac, 85-34-7, Fenac, Kanepar, Fenae, Tri-fen.

Is Chlorfenac classified as hazardous?

Hazard statements reported: H302, H411.

What are the key physical properties of Chlorfenac?

Melting Point: 161 °C; Vapor Pressure: 0.0000339 [mmHg]; Vapor Pressure: 1.7x10-5 mm Hg at 25 °C; LogP: 3.20.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.