기본 정보
- CAS
61397-56-6- 표준 SMILES
O=C(OC[C@@H]1CO[C@](CBr)(c2ccc(Cl)cc2Cl)O1)c1ccccc1- InChIKey
OXUPOIXSQGXRGF-KDOFPFPSSA-N- 분자식
- C18H15BrCl2O4
- 평균 분자량
- 446.1 g/mol
- 단동위원소 질량
- 443.95308
이름 및 식별자
- 우선 이름
- cis-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-ylmethyl benzoate
- IUPAC
- [(2R,4S)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate
- 영어명
- trans-[2-BroMoMethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]Methyl Benzoate
- 분자식
- C18H15BrCl2O4
- 분자량
- 446.12
이름 및 동의어
61397-56-6cis-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-ylmethyl benzoateEINECS 262-765-9RefChem:334219262-765-9cis-BBDrel-((2R,4S)-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl benzoate(cis-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl benzoate[(2R,4S)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate61397-57-7C18H15BrCl2O4((2R,4S)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl benzoate
이름 더 보기
Trans bromo benzoatetrans-[2-BroMoMethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]Methyl Benzoate1,3-Dioxolane-4-methanol, 2-(bromomethyl)-2-(2,4-dichlorophenyl)-, 4-benzoate, (2R,4S)-rel-
Ketoconazole Impurity 17Cis-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoateItraconazole Impurity 51CisBromoBenzoateItraconazoleCis-bromo-ester(Cis-BBD)orb1980208SCHEMBL7469279AKOS015891329
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 44.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 460
물리화학적 성질
- 녹는점
- 82 · 82-84oC
- 끓는 점
- 516.995 · 516.995±50.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.513 · 1.513±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 저장 조건
- -20 °C · -20°C Freezer, Under Inert Atmosphere
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
화학적 성질
Thick Oil
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationREACH registered substance: cis-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-ylmethyl benzoate (EC: 262-765-9)
Hazard Classes and CategoriesAcute Tox. 4 (50%)
화학 및 산업
응용 분야
용도An intermediate in the preparation of antifungal agents such as Ketoconazole (K186000), Itraconazole (I937500) and Terconazole.
공급사23 곳
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
苏州美石生物科技有限公司
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