4-{[(E)-(5-bromofuran-2-yl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
기본 정보
- CAS
324580-54-3- 표준 SMILES
Cc1c(N=Cc2ccc(Br)o2)c(=O)n(-c2ccccc2)n1C- InChIKey
WZMPZOMKYIGHBD-UHFFFAOYSA-N- 분자식
- C16H14BrN3O2
- 평균 분자량
- 360.2 g/mol
- 단동위원소 질량
- 359.02694
이름 및 식별자
- 우선 이름
- 4-{[(E)-(5-bromofuran-2-yl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
- IUPAC
- 4-[(5-bromofuran-2-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
- 영어명
- (E)-4-(((5-bromofuran-2-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
- 분자식
- C16H14BrN3O2
- 분자량
- 360.21
이름 및 동의어
324580-54-34-[[(5-Bromo-2-furanyl)methylene]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one4-[(1E)-2-(5-bromo(2-furyl))-1-azavinyl]-2,3-dimethyl-1-phenyl-3-pyrazolin-5-o ne4-{[(5-Bromofuran-2-yl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-oneOprea1_283384DTXSID101122238STK741627AKOS0017039874-{[(E)-(5-bromofuran-2-yl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-oneST010300AG-205/33680011SR-01000212262
이름 더 보기
3H-Pyrazol-3-one, 4-[[(5-bromo-2-furanyl)methylene]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl-
SR-01000212262-1(E)-4-(((5-bromofuran-2-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one4-((5-BR-FURAN-2-YLMETHYLENE)-AMINO)-1,5-DIMETHYL-2-PH-1,2-DIHYDRO-PYRAZOL-3-ONE4-{[(5-bromo-2-furyl)methylene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
데이터베이스 식별자
- CAS
324580-54-3- PubChem CID
- 1286564
- DTXSID
DTXSID101122238- EC Number
- 167-608-7
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 49.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 500
물리화학적 성질
- 끓는 점
- 439.3 · 439.3±55.0 °C(Predicted)
- 밀도
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.73 · 7.73±0.20(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)
관련 반응
0건
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