기본 정보
- CAS
174514-07-9- 표준 SMILES
CC(C)OC(=O)c1cc(-c2nn(C)c(C(F)(F)F)c2Br)c(F)cc1Cl- InChIKey
FKLQIONHGSFYJY-UHFFFAOYSA-N- 분자식
- C15H12BrClF4N2O2
- 평균 분자량
- 443.62 g/mol
- 단동위원소 질량
- 441.97068028
개요
structure in first source
이름 및 식별자
- 우선 이름
- Fluazolate
- IUPAC
- propan-2-yl 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorobenzoate
- 현지명
- 플루아졸레이트
- 영어명
- Fluazolate
- 분자식
- C15H12BrClF4N2O2
- 분자량
- 443.62
이름 및 동의어
Fluazolate174514-07-9KJX9P1E61KDTXSID7057999RefChem:140792DTXCID5031767Isopropazolisopropyl 5-(4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzoateIsopropazol; JV-485;MON 48500Isopropyl 5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluorobenzoateUNII-KJX9P1E61KFluazolate [ISO:BSI]
이름 더 보기
플루아졸레이트Twin-AgroFluazolate 100 μg/mL in Acetonitrile5-[4-BroMo-1-Methyl-5-(trifluoroMethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluoro-5-[4-Bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluoro- benzoic Acid 1-Methylethyl Ester
JV 485MON 48500Isopropazol-d3Twin-Agro-d31-METHYLETHYL 5-(4-BROMO-1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-3-YL)-2-CHLORO-4-FLUOROBENZOATE1-Methylethyl 5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluorobenzoateBenzoic acid, 5-(4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)-2-chloro-4-fluoro-, 1-methylethyl esterBenzoic acid, 5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluoro-, 1-methylethyl ester
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 44.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 497
실험 및 물리화학적 성질
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
물리화학적 성질
- 녹는점
- 78 · 78-81°C
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- Henry's Law Constant
- 1.3 · 1.3×101 mol/(m3Pa) at 25℃, MacBean (2012)
화학 및 산업
응용 분야
개요Form. Fluffy white crystalline solid Melting point. 79.5–80.5 C Vapor pressure. 7.0 × 108 mm Hg at 20 C Partition coefficient (n-octanol/water) at 25 C. 5.44 Solubility. 5.3 × 102 mg/L in water Stability. Stable in water
용도An active ingredient formulation to prepare agrochemicals and drugs in amorphous form.
공급사8 곳
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