Sedaxane
기본 정보
- CAS
874967-67-6- 표준 SMILES
Cn1cc(C(=O)Nc2ccccc2C2CC2C2CC2)c(C(F)F)n1- InChIKey
XQJQCBDIXRIYRP-UHFFFAOYSA-N- 분자식
- C18H19F2N3O
- 평균 분자량
- 331.4 g/mol
- 단동위원소 질량
- 331.14961856
개요
Sedaxane can cause cancer according to The Environmental Protection Agency (EPA).
이름 및 식별자
- 우선 이름
- Sedaxane
- IUPAC
- N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
- 영어명
- Mixture of 2′-[(1RS,2RS)-1,1′-Bicycloprop-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxanilide and 2′-[(1RS,2SR)-1,1′-bicycloprop-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxanilide
- 분자식
- C18H19F2N3O
- 분자량
- 331.36
이름 및 동의어
Sedaxane874967-67-6UHZ33J8Z9FN-(2-(1,1'-bicyclopropyl)-2-ylphenyl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamideDTXSID2058207RefChem:884789DTXCID5031975CHEBI:83173688-331-2Sedaxane [ISO]Sedaxane 100 microg/mL in AcetonitrileN-(2-([1,1'-Bi(cyclopropan)]-2-yl)phenyl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
이름 더 보기
Sedaxane SolutionFluazole cyclamideSedaxane in AcetoneSedaxane, mixture of isomersSedaxane@100 μg/mL in MethanolSedaxane 10.0 μg/ml AcetonitrileSedaxane 100 μg/mL in AcetonitrileSedaxane Solution in Methanol, 100μg/mL
N-(2-{[1,1'-bi(cyclopropane)]-2-yl}phenyl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamideUNII-UHZ33J8Z9F1H-PYRAZOLE-4-CARBOXAMIDE, N-(2-(1,1'-BICYCLOPROPYL)-2-YLPHENYL)-3-(DIFLUOROMETHYL)-1-METHYL-1H-Pyrazole-4-carboxamide, N-(2-[1,1'-bicyclopropyl]-2-ylphenyl)-3-(difluoromethyl)-1-methyl-N-{2-[[1,1'-Bi(cyclopropan)]-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamideSCHEMBL68347orb3136085CHEBI:83174
데이터베이스 식별자
- CAS
874967-67-6- PubChem CID
- 11688533
- DTXSID
DTXSID2058207- ChEBI
CHEBI:83174- UNII
- UHZ33J8Z9F
- EC Number
- 688-331-2
- Nikkaji
- J3.173.235B
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 46.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 485
실험 및 물리화학적 성질
Pesticides
Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Approved
Fungicides
Pesticide (Sedaxane) -> USDA PDB
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 끓는 점
- 397.8 · 397.8±42.0 °C(Predicted)
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 용해도
- 클로로포름 (약간 용해됨), DMSO (약간 용해됨), 메탄올 (약간 용해됨,초음파처리)
- 산도 계수 (pKa)
- 12.23 · 12.23±0.70(Predicted)
- Henry's Law Constant
- 2.5 · 2.5×105 mol/(m3Pa) at 25℃, Maniere et al. (2011)
- EPA
- 1 H-Pyrazole-4-carboxamide, · 1H-Pyrazole-4-carboxamide, N-(2-[1,1'-bicyclopropyl]-2-ylphenyl)-3-(difluoromethyl)-1-methyl- (874967-67-6)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H351: Suspected of causing cancer [Warning Carcinogenicity]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
Warning
H351 (76.7%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Hazard Traits - Carcinogenicity
Regulation (EC) No 396/2005 (amended)
Sedaxane is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
2011/123/EU, Reg. (EU) 2018/155, Reg. (EU) 2020/2007, Reg. (EU) 2025/787, Reg. (EU) No 826/2013
Hazard Classes and Categories
Carc. 2 (76.7%)
Carc. 2
독성 정보
RAIS Toxicity Values
0.3
OPP
0.11
OPP
EPA Human Health Benchmarks for Pesticides
Sedaxane
0.3
2000
Children
0.11
650
안전 데이터
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 50/53
- hazard_code
- N
- safety_code
- 60-61
화학 및 산업
용도 및 제조
Use ClassificationFungicides
관련 반응
2건
화합물 노트
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