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Flufenacet OA, Pestanal

Flufenacet OA, Pestanal structure

CAS No:
201668-31-7
Formula:
C11H12FNO3
Chemical Name:
Flufenacet OA, Pestanal
Synonyms:
Flufenacet OA, Pestanal;flufenacet-oxalamic acid;FLUFENACETESA;2-[(4-Fluorophenyl)(1-methylethyl)amino]-2-oxo-ethanesulfonic acid sodium salt, Flufenacet sulfonic acid sodium salt;[(4-Fluorophenyl)(1-methylethyl)amino]oxo-aceticacid,Flufenacetoxalate,N-(4-Fluorophenyl)-N-(1-methylethyl)oxalamicacid;Flufenacet-oxalate (OA)
Categories:
Analytical Chemistry > Standard

Description

Flufenacet OXA is a monocarboxylic acid that is oxoacetic acid substituted by a (4-fluorophenyl)(propan-2-yl)amino group at position 2. It is a metabolite of the herbicide flufenacet. It is an aromatic amide, a member of monofluorobenzenes and a monocarboxylic acid.

Flufenacet OA, Pestanal Basic Attributes

Molecular Weight：

225.218

Exact Mass：

225.080124

UNII：

MHK948F670

DSSTox ID：

DTXSID2037552

Characteristics

PSA：

57.6

XLogP3：

1.64

Density：

1.3±0.1 g/cm3

Boiling Point：

354.3±44.0 °C at 760 mmHg

Flash Point：

168.1±28.4 °C

Refractive Index：

1.560

Safety Information

Transport codes：

UN28116.1/PG3

wgk germany：

hazard class code：

22-43

safety instructions：

36/37

Marks：

Precautionary statement(s)：

P280-P301 + P310

Hazard Statements：

H301-H317

Flufenacet OA, Pestanal Use and Manufacturing

Use Classification：

Pesticides -> Herbicides -> Amide herbicides -> Anilide herbicides -> Transformation products|Environmental transformation -> Pesticide transformation products (metabolite, successor)

Agrochemical：

Flufenacet OXA is a known environmental transformation product of Flufenacet.|FOE oxalate (Flufenacet OXA) is a known environmental transformation product of Flufenacet.

Computed Properties

Molecular Weight:225.22
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:225.08012141
Monoisotopic Mass:225.08012141
Topological Polar Surface Area:57.6
Heavy Atom Count:16
Complexity:272
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes