Beflubutamid
기본 정보
- CAS
113614-08-7- 표준 SMILES
CCC(Oc1ccc(F)c(C(F)(F)F)c1)C(=O)NCc1ccccc1- InChIKey
FFQPZWRNXKPNPX-UHFFFAOYSA-N- 분자식
- C18H17F4NO2
- 평균 분자량
- 355.3 g/mol
- 단동위원소 질량
- 355.11954143
개요
N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide is a monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 2-[4-fluoro-3-(trifluoromethyl)phenoxy]butyric acid with the amino group of benzylamine. It is a monocarboxylic acid amide, an aromatic ether, a member of (trifluoromethyl)benzenes and a member of monofluorobenzenes. It is functionally related to a benzylamine.
이름 및 식별자
- 우선 이름
- Beflubutamid
- IUPAC
- N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide
- 영어명
- BEFLUBUTAMID
- 분자식
- C18H17F4NO2
- 분자량
- 355.33
이름 및 동의어
Beflubutamid113614-08-7YW9853IQ3U(RS)-N-benzyl-2-(alpha,alpha,alpha,4-tetrafluoro-m-tolyloxy)butyramideDTXSID7057941UBH-8202-[4-Fluoro-3-(trifluoromethyl)phenoxy]-N-(phenylmethyl)butanamide2-(4-FLUORO-3-(TRIFLUOROMETHYL)PHENOXY)-N-(PHENYLMETHYL)BUTANAMIDERefChem:561191DTXCID1031709CHEBI:138192601-267-1
이름 더 보기
HERBAFLEXBeubutamidbeflubutamid (bsi,iso)C10430000 BeflubutamidBeflubutamid in AcetonitrileBeflubutamid@100 μg/mL in MethanolBeflubutamid 10.0 μg/ml Acetonitrile(±)-Beflubutamid-d7 (benzylamine-d7)
Beflubutamid [ISO]N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamideUNII-YW9853IQ3UUBH 820N-benzyl-2-(4-fluoro-3-(trifluoromethyl)phenoxy)butanamideButanamide, 2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(phenylmethyl)-C18H17F4NO2BUTANAMIDE, 2-(4-FLUORO-3-(TRIFLUOROMETHYL)PHENOXY)-N-(PHENYLMETHYL)-
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 38.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 424
실험 및 물리화학적 성질
Pesticides
Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Approved
Environmental transformation -> Pesticides (parent, predecessor)
Herbicides
Pesticide (Beflubutamid) -> USDA PDB
Human DrugsPharmaceuticals
물리화학적 성질
- 끓는 점
- 496.6 · 496.6±45.0 °C(Predicted)
- 밀도
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.66 · 14.66±0.46(Predicted)
- Henry's Law Constant
- 9.1 · 9.1×103 mol/(m3Pa) at 25℃, Maniere et al. (2011)
- 주요 응용
- 농업환경
- InChI
- 1S/C18H17F4NO2/c1-2-16(17(24)23-11-12-6-4-3-5-7-12)25-13-8-9-15(19)14(10-13)18(20,21)22/h3-10,16H,2,11H2,1H3,(H,23,24)
- InChIKey
- FFQPZWRNXKPNPX-UHFFFAOYSA-N
- SMILES
- CCC(Oc1ccc(F)c(c1)C(F)(F)F)C(=O)NCc2ccccc2
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H400: 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)
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)
유해성 정보
Regulatory Information07/50/EC, Reg. (EU) 2019/707, Reg. (EU) 2020/869, Reg. (EU) 2021/745, Reg. (EU) 2022/708, Reg. (EU) 2023/918, Reg. (EU) 2026/1826, Reg. (EU) No 540/2011, Reg. (Eu) 2018/917
Hazard Classes and Categories
Aquatic Acute 1 (100%)
Hazardous to the aquatic environment (acute) - category 1
Aquatic Acute 1
안전 데이터
- wgk
- WGK 3
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 50/53
- hazard_code
- N
- safety_code
- 60-61
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Use Classification
Herbicides
Environmental transformation -> Pesticides (parent, predecessor)
Pharmaceuticals
관련 반응
2건
화합물 노트
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