Picolinafen

HCID 3294375CAS 137641-05-5

기본 정보

표준 SMILES: O=C(Nc1ccc(F)cc1)c1cccc(Oc2cccc(C(F)(F)F)c2)n1
InChIKey: CWKFPEBMTGKLKX-UHFFFAOYSA-N
분자식: C19H12F4N2O2
평균 분자량: 376.3 g/mol
단동위원소 질량: 376.0834905

개요

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.

이름 및 식별자

우선 이름: Picolinafen
IUPAC: N-(4-fluorophenyl)-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
영어명: PICOLINAFEN
분자식: C19H12F4N2O2
분자량: 376.3

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 4.9
극성 표면적: 51.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 4
무거운 원자 수: 27
형식 전하: 0
복잡도: 495

실험 및 물리화학적 성질

Pesticides · 6건

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

물리화학적 성질

녹는점: 107.2 · 107.2-107.6°
끓는 점: 399 · 399.0±42.0 °C(Predicted)
밀도: 1.394 · 1.394±0.06 g/cm3(Predicted)
저장 조건: 0 · 0-6°C
산도 계수 (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)
주요 응용: 농업환경
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)

안전 및 규제

GHS 분류

GHS Classification · 6건

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)

유해성 정보

Regulatory Information · 2건

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 · 3건

STOT RE 2 (14%)

Aquatic Acute 1 (100%)

STOT RE 2

안전 데이터

wgk: 2
ridadr: UN3077 9/PG 3
독성: 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
스토리지 클래스: 11 - Combustible Solids