2-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
기본 정보
- CAS
97986-18-0- 표준 SMILES
COc1cc(-n2nc(C)n(C(F)F)c2=O)c(F)cc1Cl- InChIKey
WCGVTAFTSAKOKS-UHFFFAOYSA-N- 분자식
- C11H9ClF3N3O2
- 평균 분자량
- 307.65 g/mol
- 단동위원소 질량
- 307.0335387
이름 및 식별자
- 우선 이름
- 2-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
- IUPAC
- 2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one
- 영어명
- 2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-2H-1,2,4-triazol-3(4H)-one
- 분자식
- C11H9ClF3N3O2
- 분자량
- 307.66
이름 및 동의어
97986-18-02-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-oneDTXSID00553364RefChem:252082DTXCID305041472-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-2,4-dihydro-5-methyl-3H-1,2,4-triazol-3-oneMethoxy-F8246-despropionateCHEMBL2289442SCHEMBL10563272NS000672061-(4-chloro-2-fluoro-5-methoxyphenyl)-4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-one2-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-2,4-dihydro-5-methyl-3H-1,2,4-triazol-3-one; Carfentrazone-despropionate-methoxy; Methoxy-F8426-despropionate; F8426 MD
이름 더 보기
2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-2H-1,2,4-triazol-3(4H)-one3H-1,2,4-Triazol-3-one, 2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-2,4-dihydro-5-methyl-
데이터베이스 식별자
- CAS
97986-18-0- PubChem CID
- 13961806
- DTXSID
DTXSID00553364- ChEMBL
CHEMBL2289442- Nikkaji
- J857.489H
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 45.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 424
실험 및 물리화학적 성질
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
물리화학적 성질
- 녹는점
- 86 · 86-88 °C
- 끓는 점
- 361.1 · 361.1±52.0 °C(Predicted)
- 밀도
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.29 · -2.29±0.20(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationCommission Regulation No 844/2012
화학 및 산업
용도 및 제조
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
관련 반응
6건
화합물 노트
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