기본 정보
- CAS
128621-72-7- 표준 SMILES
Cc1nn(-c2cc(CC(Cl)C(=O)O)c(Cl)cc2F)c(=O)n1C(F)F- InChIKey
YHKBGVDUSSWOAB-UHFFFAOYSA-N- 분자식
- C13H10Cl2F3N3O3
- 평균 분자량
- 384.13 g/mol
- 단동위원소 질량
- 383.0051311
개요
2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid is a member of the class of triazoles that is 2,4-dihydro-3H-1,2,4-triazol-3-one which is substituted at positions 2, 4, and 5 by 5-(2-carboxy-2-chloroethyl)-4-chloro-2-fluorophenyl, difluoromethyl, and methyl groups, respectively. It is a monocarboxylic acid, a member of triazoles, a member of monochlorobenzenes and a member of monofluorobenzenes.
이름 및 식별자
- 우선 이름
- Carfentrazone
- IUPAC
- 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoic acid
- 영어명
- carfentrazone-ethyl
- 분자식
- C13H10Cl2F3N3O3
- 분자량
- 384.14
이름 및 동의어
Carfentrazone128621-72-7WAH5515N4UORATIODTXSID108697662-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluoro-phenyl]propanoic acid2-chloro-3-(2-chloro-5-(4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl)-4-fluoro-phenyl)propanoic acidRefChem:1081258CHEBI:3415DTXCID00817690Carfentrazone [ISO]Carfentrazone (free acid)
이름 더 보기
CarfentrazonF 8426F 116426CAS:128621-72-7Carfentrazone in AcetonitrileCarfentrazone Solution, 1000ppmC11043100 CarfentrazonE(freEacid)
UNII-WAH5515N4U2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoic acidC114932-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acidAffinty(RS)-2-chloro-3-(2-chloro-5-(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)-4-fluorophenyl)propionic acidBenzenepropanoic acid, .alpha.,2-dichloro-5-(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)-4-fluoro-AC1L9E9Z
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 73.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 552
실험 및 물리화학적 성질
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
물리화학적 성질
- 끓는 점
- 472.8 · 472.8±55.0 °C(Predicted)
- 밀도
- 1.67 · 1.67±0.1 g/cm3(Predicted)
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨, 초음파처리)
- 산도 계수 (pKa)
- 2.76 · 2.76±0.14(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 안정성
- 흡습성
- EPA
- 2 · Benzenepropanoic acid, .alpha.,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluoro- (128621-72-7)
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)
상·하류 제품 정보
상류 원료
하류 제품
공급사47 곳
湖北万得化工有限公司15377098680 15377098680 · [email protected]
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