Broflanilide
기본 정보
- CAS
1207727-04-5- 표준 SMILES
CN(C(=O)c1ccccc1)c1cccc(C(=O)Nc2c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c1F- InChIKey
QSLZKWPYTWEWHC-UHFFFAOYSA-N- 분자식
- C25H14BrF11N2O2
- 평균 분자량
- 663.3 g/mol
- 단동위원소 질량
- 662.00630021
개요
Broflanilide is a benzamide obtained by formal condensation of the carboxy group of 3-[benzoyl(methyl)amino]-2-fluorobenzoic acid with the amino group of 2-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)aniline. An insecticide that exhibits high larvicidal activity against Spodoptera litura and is effective against pests with resistance to cyclodienes and fipronil. It has a role as an insecticide, an agrochemical and a GABA antagonist. It is a member of benzamides, a member of bromobenzenes, an organofluorine insecticide, a member of (trifluoromethyl)benzenes and a member of monofluorobenzenes.
이름 및 식별자
- 우선 이름
- Broflanilide
- IUPAC
- 3-[benzoyl(methyl)amino]-N-[2-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)phenyl]-2-fluorobenzamide
- 영어명
- Broflanilide
- 분자식
- C25H14BrF11N2O2
- 분자량
- 663.277
이름 및 동의어
broflanilide1207727-04-55M24RC688MCHEBI:131598DTXSID50894815N-[2-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)phenyl]-2-fluoro-3-(N-methylbenzamido)benzamideN-(2-Bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)phenyl)-2-fluoro-3-(N-methylbenzamido)benzamideRefChem:121488DTXCID701324385690-677-4Broflanilide [ISO]3-[benzoyl(methyl)amino]-N-[2-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)phenyl]-2-fluorobenzamide
이름 더 보기
Bromothyrofen benzamideBroflaChemicalbooknilideBroflanilide, 10 mM in DMSOBroflanilide in AcetonitrileBroflanilide 100 μg/ml AcetonitrileBroflanilide 100 μg/mL in AcetonitrileBroflanilideQ: What is Broflanilide Q: What is the CAS Number of BroflanilideN-[2-Bromo-4-(perfluoro-2-propyl)-6-(trifluoromethyl)phenyl]-2-fluoro-3-(N-methylbenzamido)benzamideinhibit,Broflanilide,GABA Receptor,Gamma-aminobutyric acid Receptor,γ-Aminobutyric acid Receptor,Inhibitor
물성
구조 계산 물성
- XLogP
- 7.7
- 극성 표면적
- 49.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 922
물리화학적 성질
- 끓는 점
- 467.9 · 467.9±45.0 °C(Predicted)
- 밀도
- 1.625 · 1.625±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 10.28 · 10.28±0.70(Predicted)
- 색상
- 흰색에서 황백색까지
- InChIKey
- QSLZKWPYTWEWHC-UHFFFAOYSA-N
- SMILES
- O=C(C1C(F)=C(N(C(=O)C2C=CC=CC=2)C)C=CC=1)NC1C(Br)=CC(C(C(F)(F)F)(F)C(F)(F)F)=CC=1C(F)(F)F
- EPA
- 3 · Benzamide, 3-(benzoylmethylamino)-N-[2-bromo-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-6-(trifluoromethyl)phenyl]-2-fluoro (1207727-04-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 24 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAquatic Acute 1 (100%)
안전 데이터
- 신호 어
- Danger
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H301
관련 반응
0건
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