기본 정보
- CAS
438450-43-2- 표준 SMILES
Cc1cc(Cl)cc2c(=O)n(C)c(-c3cc(Br)nn3-c3ncccc3Cl)nc12- InChIKey
QTUSYELSINABSI-UHFFFAOYSA-N- 분자식
- C18H12BrCl2N5O
- 평균 분자량
- 465.1 g/mol
- 단동위원소 질량
- 462.96023
이름 및 식별자
- 우선 이름
- 2-[3-Bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazol-5-yl]-6-chloro-3,8-dimethyl-4(3H)-quinazolinone
- IUPAC
- 2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-6-chloro-3,8-dimethylquinazolin-4-one
- 영어명
- 2-(3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl)-6-chloro-3,8-dimethylquinazolin-4(3H)-one
- 분자식
- C18H12BrCl2N5O
- 분자량
- 465.13
이름 및 동의어
438450-43-22-(3-Bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazol-5-yl)-6-chloro-3,8-dimethyl-4(3H)-quinazolinoneUNII-2931G3IF0V2931G3IF0V2-[3-Bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazol-5-yl]-6-chloro-3,8-dimethyl-4(3H)-quinazolinone4(3H)-Quinazolinone, 2-(3-bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazol-5-yl)-6-chloro-3,8-dimethyl-DTXSID609049594(3H)-Quinazolinone, 2-[3-bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazol-5-yl]-6-chloro-3,8-dimethyl-RefChem:197579DTXCID4013340822-(3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl)-6-chloro-3,8-dimethylquinazolin-4(3H)-one2-[5-bromo-2-(3-chloropyridin-2-yl)pyrazol-3-yl]-6-chloro-3,8-dimethylquinazolin-4-one
이름 더 보기
2-[3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-6-chloro-3,8-dimethylquinazolin-4(3H)-oneIN-EQW78SCHEMBL31668886CHLORANTRANILIPROLE IMPURITYEX-A9973NS00067208H61945Q27254373
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 63.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 623
실험 및 물리화학적 성질
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
물리화학적 성질
- 녹는점
- 210 · 210 - 215°C
- 끓는 점
- 631.5 · 631.5±65.0 °C(Predicted)
- 밀도
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer, Under inert atmosphere
- 용해도
- DMSO (Slightly, Heated), Methanol (Slightly, Heated)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- -1.83 · -1.83±0.70(Predicted)
- 색상
- 흰색에서 황백색까지
- EPA
- 4 · 4(3H)-Quinazolinone, 2-[3-bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazol-5-yl]-6-chloro-3,8-dimethyl- (438450-43-2)
화학 및 산업
용도 및 제조
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
공급사19 곳
艾吉析科技（上海）有限公司17717235263 · [email protected]
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山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
九江市尤利特医药科技有限公司792-3901125 13222993784 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
苏州卓欣雅科技有限公司18506228039 · [email protected]
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ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
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