FRCD

Basic Info

Common Name	Sodium Acifluorfen(F05650)
2D Structure
FRCD ID	F05650
CAS Number	62476-59-9
PubChem CID	44072
Formula	C14H6ClF3NNaO5
IUPAC Name	sodium;5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
InChI Key	RVULBHWZFCBODE-UHFFFAOYSA-M
InChI	InChI=1S/C14H7ClF3NO5.Na/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21;/h1-6H,(H,20,21);/q;+1/p-1
Canonical SMILES	C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-].[Na+]
Isomeric SMILES	C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-].[Na+]
Synonyms	Acifluorfen, sodium salt Sodium 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoate Acifluorfen sodium ACIFLUORFEN-SODIUM 62476-59-9 Carbofluorfen Sodium Acifluorfen Blazer 2S Scifluorfen Blazer
Classifies	Pesticide
Update Date	Nov 13, 2018 17:07

Chemical Taxonomy

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylethers
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylethers
Alternative Parents	Hydrocarbon derivatives Organic oxides Organopnictogen compounds Organonitrogen compounds Organochlorides Phenoxy compounds Monocarboxylic acids and derivatives Carboxylic acids Aryl chlorides Diarylethers Benzoic acids Benzoyl derivatives Chlorobenzenes Propargyl-type 1,3-dipolar organic compounds Nitroaromatic compounds Organic oxoazanium compounds Organic sodium salts Phenol ethers Organofluorides Alkyl fluorides Trifluoromethylbenzenes Nitrobenzenes Carboxylic acid salts Organic metal halides Nitrobenzoic acids and derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diphenylether - Nitrobenzoate - Diaryl ether - Trifluoromethylbenzene - Nitrobenzene - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Nitroaromatic compound - Phenoxy compound - Phenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid salt - Organic nitro compound - C-nitro compound - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Ether - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic oxygen compound - Organic sodium salt - Organic nitrogen compound - Organopnictogen compound - Alkyl fluoride - Organic oxide - Alkyl halide - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.

Properties

Property Name	Property Value
Molecular Weight	383.639
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Complexity	479
Monoisotopic Mass	382.978
Exact Mass	382.978
Formal Charge	0
Heavy Atom Count	25
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	2

MRLs

Food	Product Code	Country	MRLs	Application Date	Notes
Dry Soybeans		Canada	0.02mg/kg