ピコリナフェン

Picolinafen

HCID 3294375CAS 137641-05-5

基本情報

標準SMILES: O=C(Nc1ccc(F)cc1)c1cccc(Oc2cccc(C(F)(F)F)c2)n1
InChIKey: CWKFPEBMTGKLKX-UHFFFAOYSA-N
分子式: C19H12F4N2O2
平均分子量: 376.3 g/mol
単同位体質量: 376.0834905

概要

Picolinafen is a pyridinecarboxamide resulting from the formal condensation of the carboxy group of 6-(m-trifluoromethylphenoxy)picolinic acid with the amino group of p-fluoroaniline. A carotenoid biosynthesis inhibitor, it is used as a herbicide for the control of broad-leaved weeds in cereal crops. It has a role as a carotenoid biosynthesis inhibitor, a herbicide and an agrochemical. It is a pyridinecarboxamide, an aromatic ether, a member of (trifluoromethyl)benzenes and a member of monofluorobenzenes.

名称と識別子

優先名称: Picolinafen
IUPAC: N-(4-fluorophenyl)-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
現地名: ピコリナフェン
英語名: PICOLINAFEN
分子式: C19H12F4N2O2
分子量: 376.3

名称と別名

Picolinafen137641-05-5Picolinafen [ISO]UNII-VJE2EX3SNNVJE2EX3SNNN-(4-fluorophenyl)-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamidepicolinafenePICOLINAFEN [MI]DTXSID8044339CHEBI:1387364'-fluoro-6-(alpha,alpha,alpha-trifluoro-m-tolyloxy)pyridine-2-carboxanilide4'-FLUORO-6-(.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-M-TOLYLOXY)PYRIDINE-2-CARBOXANILIDE

名称をさらに表示

ピコリナフェン標準品ピコリナフェンPICOLIFEN50%Diflufenican55%Diflufenican30%DiflufenicanPicolinafen StandardPicolinafen solutionpicolinafen (bsi,iso)Picolinafen Solution,100ppm

N-(4-fluorophenyl)-6-(3-(trifluoromethyl)phenoxy)pyridine-2-carboxamideRefChem:174160DTXCID6024339CWKFPEBMTGKLKX-UHFFFAOYSA-NPGSPTHKIIXXDND-UHFFFAOYSA-NN-(4-Fluorophenyl)-6-[3-(trifluoromethyl)phenoxy]-2-pyridinecarboxamideN-(4-Fluorophenyl)-6-(3-(trifluoromethyl)phenoxy)picolinamideN-(4-FLUOROPHENYL)-6-(3-(TRIFLUOROMETHYL)PHENOXY)-2-PYRIDINECARBOXAMIDE

データベース識別子

CAS: 137641-05-5
PubChem CID: 3294375
DTXSID: DTXSID8044339
ChEBI: CHEBI:138736
UNII: VJE2EX3SNN
EC Number: 604-030-0、639-953-8
Nikkaji: J2.724.014C

物性

構造計算による物性

XLogP: 4.9
極性表面積: 51.2 Å²
水素結合供与体数: 1
水素結合受容体数: 7
回転可能結合数: 4
重原子数: 27
形式電荷: 0
複雑度: 495

実験および物理化学的性質

Pesticides · 6 件

Agrochemicals -> Pesticide active substances

Active substance -> EU Pesticides database: Approved

Environmental transformation -> Pesticides (parent, predecessor)

Pesticide

Herbicides

Pesticide (Picolinafen) -> USDA PDB

Human DrugsPharmaceuticals

Endocrine DisruptorsPotential endocrine disrupting compound

物理化学的性質

融点: 107.2 · 107.2-107.6°
沸点: 399 · 399.0±42.0 °C(Predicted)
比重(密度): 1.394 · 1.394±0.06 g/cm3(Predicted)
貯蔵温度: 0 · 0-6°C
酸解離定数(Pka): 10.28 · 10.28±0.70(Predicted)
Henry's Law Constant: 6.2 · 6.2×102 mol/(m3Pa) at 25℃, Maniere et al. (2011)
主な用途: 農業環境
InChI: 1S/C19H12F4N2O2/c20-13-7-9-14(10-8-13)24-18(26)16-5-2-6-17(25-16)27-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,26)
InChIKey: CWKFPEBMTGKLKX-UHFFFAOYSA-N
SMILES: Fc1ccc(NC(=O)c2cccc(Oc3cccc(c3)C(F)(F)F)n2)cc1
LogP: 4.367 · 4.367 (est)

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P273, P319, P391, and P501 (click each P-code to see the statement)

Warning

H373 (14%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P273, P319, P391, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 2 件

Commission Regulation (EU) No 1141/2010

02/64/EC, 2010/77/EU, Reg. (EU) 2015/1885, Reg. (EU) 2016/1423, Reg. (EU) 2016/549, Reg. (EU) No 540/2011

Hazard Classes and Categories · 3 件

STOT RE 2 (14%)

Aquatic Acute 1 (100%)

STOT RE 2

安全データ

wgk: 2
ridadr: UN3077 9/PG 3
毒性: LD50 in rats (mg/kg): >5000 orally; >4000 dermally; LC50 in rats (mg/l): >5.9 by inhalation; LC50 in rainbow trout (96 hr): 0.281 mg/l (White)
risk_code: 50/53
hazard_code: N
safety_code: 60-61
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1
ストレージクラス: 11 - Combustible Solids