기본 정보
- CAS
87676-93-5- 표준 SMILES
OC(Cn1cncn1)(c1ccc(F)cc1)c1ccccc1F- InChIKey
JWUCHKBSVLQQCO-UHFFFAOYSA-N- 분자식
- C16H13F2N3O
- 평균 분자량
- 301.29 g/mol
개요
1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol is a tertiary alcohol that is ethanol in which one of the hydrogens at position 1 is replaced by an p-fluorophenyl group, the other hydrogen at position 1 is replaced by a p-fluorophenyl group, and one of the hydrogens at position 2 is replaced by a 1H-1,2,4-triazol-1-yl group. It is a tertiary alcohol, a member of triazoles and a member of monofluorobenzenes.
이름 및 식별자
- 우선 이름
- Flutriafol
- IUPAC
- 1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
- 영어명
- alpha-(2-Fluorophenyl)-alpha-(4-fluorophenyl)-1H-1,2,4-triazole-1-ethanol
- 분자식
- C16H24F2N2O
- 분자량
- 0
이름 및 동의어
Flutriafol76674-21-0PP 4501-(2-Fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanolTOPGUARDDTXSID8040727R 15245083P8CT2Z3HPP-450(RS)-2,4'-Difluoro-alpha-(1H-1,2,4-triazol-1-ylmethyl)benzhydryl alcoholalpha-(2-Fluorophenyl)-alpha-(4-fluorophenyl)-1H-1,2,4-triazole-1-ethanolDTXCID6020727
이름 더 보기
Impact sopra
CHEBI:837071H-1,2,4-Triazole-1-ethanol, alpha-(2-fluorophenyl)-alpha-(4-fluorophenyl)-R-152450RefChem:141076CHEBI:81923616-367-0687-648-3Impact
데이터베이스 식별자
- CAS
87676-93-5- ChEMBL
CHEMBL2136951- ChEBI
CHEBI:83707- UNII
- 83P8CT2Z3H
- EC Number
- 616-367-0、687-648-3
- Nikkaji
- J372.951F
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 50.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 365
실험 및 물리화학적 성질
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
Pesticide (Flutriafol) -> USDA PDB
Pesticide
LogP2.3
Collision Cross Section
183.1 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8040727]
163.97 Ų [M+H]+ [CCS Type: TW]
165.41 Ų [M+H]+
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 185 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
유해성 정보
Regulatory Information
Commission Regulation (EC) No 33/2008
Flutriafol is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
Reg. (EU) 2018/1266, Reg. (EU) 2018/155 , Directive 91/414/EEC , Reg. (EU) 2020/2007, Reg. (EU) 2021/726, Reg. (EU) 2022/801, Reg. (EU) No 540/2011
Flutriafol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (100%)
Not Classified
독성 정보
RAIS Toxicity Values
0.075
OPP
0.05
OPP
USGS Health-Based Screening Levels for Evaluating Water-Quality
Flutriafol
67653
Pesticide
300
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
EPA Human Health Benchmarks for Pesticides
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationChemicals that kill or inhibit the growth of fungi in agricultural applications, on wood, plastics, or other materials, in swimming pools, etc.
공급사6 곳
湖北博杰生物科技有限公司0713-2060728 15629612610 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
上海亿万化工有限公司00-18662433356 18662433356 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
Weifang Yuanye Biotechnology Co., Ltd15053681231 13354462013 15053681231 · [email protected]
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