기본 정보
- CAS
124627-86-7- 표준 SMILES
CC1OC1(Cn1cncn1)c1ccc(F)cc1F- InChIKey
QANJLSHZDUOBBP-UHFFFAOYSA-N- 분자식
- C12H11F2N3O
- 평균 분자량
- 251.23 g/mol
- 단동위원소 질량
- 251.08701831
이름 및 식별자
- 우선 이름
- 1-((2-(2,4-Difluorophenyl)-3-methyl-2-oxiranyl)methyl)-1H-1,2,4-triazole
- IUPAC
- 1-[[2-(2,4-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole
- 영어명
- 1-[(2R,3S)-2-(2,4-Difluoro-phenyl)-3-methyl-oxiranylmethyl]-1H-[1,2,4]triazole
- 분자식
- C12H11F2N3O
- 분자량
- 251.23
이름 및 동의어
124627-86-7DTXSID6011490431-((2-(2,4-Difluorophenyl)-3-methyl-2-oxiranyl)methyl)-1H-1,2,4-triazole1-[[2-(2,4-Difluorophenyl)-3-methyl-2-oxiranyl]methyl]-1H-1,2,4-triazoleRefChem:1053623DTXCID0015806051-((2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole1-{[2-(2,4-difluorophenyl)-3-methyloxiran-2-yl]methyl}-1H-1,2,4-triazole(2R,3S)-2-(2,4-Difluorophenyl)-3-methyl-[(1H-1,2,4-triazol-1-yl)methyl]oxiraneC12H11F2N3OSCHEMBL3264782QANJLSHZDUOBBP-UHFFFAOYSA-N
이름 더 보기
1H-1,2,4-Triazole, 1-[[2-(2,4-difluorophenyl)-3-methyl-2-oxiranyl]methyl]-1-[(2R,3S)-2-(2,4-Difluoro-phenyl)-3-methyl-oxiranylmethyl]-1H-[1,2,4]triazole
1-[[2-(2,4-difluorophenyl)-3-methyl-oxiran-2-yl]methyl]-1,2,4-triazole2,4-Difluorophenyl-3-methyl-2-(1H-1,2,4-triazol-1-ylmethyl)oxirane2-(2,4-difluorophenyl)-3-methyl-2-(1H-1,2,4-triazol-1-yl)methyloxirane(2RS,3RS)-2-(2,4-difluorophenyl)-3-methyl-2-(1H-1,2,4-triazol-1-yl)methyl oxirane(2RS,3RS)-2-(2,4-difluorophenyl)-3-methyl-2-(1H-1,2,4-triazol-1-ylmethyl)oxirane(2RS,3SR)-2-(2,4-difluorophenyl)-3-methyl-2-(1H-1,2,4-triazol-1-yl)methyloxirane
데이터베이스 식별자
- CAS
124627-86-7- PubChem CID
- 14706449
- DTXSID
DTXSID601149043- Nikkaji
- J3.331.851K
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 43.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 320
물리화학적 성질
- 녹는점
- 89 · 89-91°C
- 끓는 점
- 371.6 · 371.6±52.0 °C(Predicted)
- 밀도
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- 저장 조건
- Amber Vial, Refrigerator
- 용해도
- 클로로포름(소량으로 용해), 메탄올(소량으로 용해)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 2.75 · 2.75±0.10(Predicted)
- 색상
- 회백색
- 안정성
- 감광성
화학 및 산업
공급사2 곳
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
郑州凡尔赛特化工有限公司0371-67991738 13783628208 · [email protected]
관련 반응
54건
화합물 노트
불러오는 중…