Flupoxam
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기본 정보
- CAS
119126-15-7- 표준 SMILES
NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(COCC(F)(F)C(F)(F)F)c2)n1- InChIKey
AOQMRUTZEYVDIL-UHFFFAOYSA-N- 분자식
- C19H14ClF5N4O2
- 평균 분자량
- 460.8 g/mol
- 단동위원소 질량
- 460.07254447
개요
Flupoxam is a benzyl ether.
이름 및 식별자
- 우선 이름
- Flupoxam
- IUPAC
- 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide
- 영어명
- 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2 ,4-triazole-3-carboxamide
- 분자식
- C19H14ClF5N4O2
- 분자량
- 460.79
이름 및 동의어
FlupoxamFlupoxam [ISO:BSI]UNII-G7Q93JFI8DG7Q93JFI8DFLUPOXAM [ISO]1-(4-chloro-3-((2,2,3,3,3-pentafluoropropoxy)methyl)phenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxamideDTXSID7057943EC 411-750-71-{4-chloro-3-[(2,2,3,3,3-pentafluoropropoxy)methyl]phenyl}-5-phenyl-1H-1,2,4-triazole-3-carboxamide1-(4-Chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxamide1-[4-CHLORO-3-((2,2,3,3,3-PENTAFLUOROPROPOXY)METHYL)PHENYL]-5-PHENYL-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1H-1,2,4-triazole-3-carboxamide
이름 더 보기
Flupoxam StandardFlupoxam in methanolFlupoxam 100 μg/mL in Acetonitrile1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2 ,4-triazole-3-carboxamide1H-1,2,4-Triazole-3-carboxamide, 1-[4-chloro-3-[(2,2,3,3,3-pentafluoropropoxy)methyl]phenyl]-5-phenyl-
1H-1,2,4-Triazole-3-carboxamide, 1-(4-chloro-3-((2,2,3,3,3-pentafluoropropoxy)methyl)phenyl)-5-phenyl-RefChem:141023DTXCID5031711411-750-7119126-15-71-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamideKNW-739MON-18500
데이터베이스 식별자
- CAS
119126-15-7- PubChem CID
- 86353
- DTXSID
DTXSID7057943- ChEBI
CHEBI:81818- UNII
- G7Q93JFI8D
- EC Number
- 411-750-7
- Nikkaji
- J667.924B
물성
구조 계산 물성보충 중
- XLogP
- 4.6
- 극성 표면적
- 83 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 621
실험 및 물리화학적 성질
PFAS
PFAS -> Other/unspecified
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PFAS -> Other/unspecified
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
LogP3.27
Melting Point144 - 148 °C
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 151 ℃ · approximate 151℃
- 끓는 점
- 555.7 · 555.7±60.0 °C(Predicted)
- 밀도
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.35 · 14.35±0.50(Predicted)
- Henry's Law Constant
- 1.1 · 1.1×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- EPA
- Flupoxam (119126-15-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
2002/2076
Status: No longer Valid Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/2481
Hazard Classes and Categories
Hazardous to the aquatic environment (chronic) - category 2
Aquatic Chronic 2
안전 데이터
- risk_code
- 51/53
- hazard_code
- N
- safety_code
- 61
화학 및 산업
약리 정보
Cellular LocationsMembrane
응용 분야
용도Flupoxam is a pesticide residue in food and vegetables. It also functions as a herbicide for agricultural purposes.
관련 반응
5건
화합물 노트
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