CAS 656825-92-2 3-(5-difluoromethoxy-1-methyl-3-trifluoromethyl-1H-pyrazole-4-ylmethylthio)-5,5-dimethyl-2-isoxazoline (HCID 11617426)

기본 정보

CAS: 656825-92-2
표준 SMILES: Cn1nc(C(F)(F)F)c(CSC2=NOC(C)(C)C2)c1OC(F)F
InChIKey: ARJPLYZBOHQOCK-UHFFFAOYSA-N
분자식: C12H14F5N3O2S
평균 분자량: 359.32 g/mol
단동위원소 질량: 359.07268879

이름 및 식별자

우선 이름: 3-(5-difluoromethoxy-1-methyl-3-trifluoromethyl-1H-pyrazole-4-ylmethylthio)-5,5-dimethyl-2-isoxazoline
IUPAC: 3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfanyl]-5,5-dimethyl-4H-1,2-oxazole
영어명: Isoxazole, 3-[[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]thio]-4,5-dihydro-5,5-dimethyl-
분자식: C12H14F5N3O2S
분자량: 359.32

이름 및 동의어

656825-92-23-(((5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)thio)-5,5-dimethyl-4,5-dihydroisoxazole3-(5-difluoromethoxy-1-methyl-3-trifluoromethyl-1H-pyrazole-4-ylmethylthio)-5,5-dimethyl-2-isoxazolineAGN-PC-00CR8PSCHEMBL1934015DTXSID204695393-({[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}sulfanyl)-5,5-dimethyl-4,5-dihydro-1,2-oxazole3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfanyl]-5,5-dimethyl-4H-1,2-oxazole3-[(5-(Difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methylthio]-4,5-dihydro-5,5-dimethyl-1,2-isoxazolePyroxasulfone Impurity 73-(5-difluoromethoxy-1-methyl-3-trifluoromethyl- 1H-pyrazole-4-ylmethyIthio)-5,5-dimethyl-2- isoxazoline3-[(5-difluoromethoxy-1-methyl-3-trifluoromethylpyrazol-4-yl)-methylthio]-4,5-dihydro-5.5-dimethyl-1,2-isoxazole

이름 더 보기

3-[[[5-(Difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H- pyrazol-4-yl]methyl]thio]-4,5-dihydro-5,5-dimethylisoxazole

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 73.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 10
회전 가능 결합 수: 5
무거운 원자 수: 23
형식 전하: 0
복잡도: 460

물리화학적 성질

끓는 점: 359.6 · 359.6±52.0 °C(Predicted)
밀도: 1.5 · 1.50±0.1 g/cm3(Predicted)
산도 계수 (pKa): -2.25 · -2.25±0.10(Predicted)
InChI: InChI=1S/C12H14F5N3O2S/c1-11(2)4-7(19-22-11)23-5-6-8(12(15,16)17)18-20(3)9(6)21-10(13)14/h10H,4-5H2,1-3H3
InChIKey: ARJPLYZBOHQOCK-UHFFFAOYSA-N
SMILES: O1C(C)(C)CC(SCC2=C(OC(F)F)N(C)N=C2C(F)(F)F)=N1

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

pyroxasulfone

공급사34 곳

山东玖玥生物科技有限公司15553333686

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

杭州研富贸易有限公司15990061515

山东玖玥生物科技有限公司18853316981

陕西纬宇新材料有限公司13772052144 13772052144 · [email protected]

화합물 노트

불러오는 중…

3-(5-difluoromethoxy-1-methyl-3-trifluoromethyl-1H-pyrazole-4-ylmethylthio)-5,5-dimethyl-2-isoxazoline