기본 정보
- CAS
1146629-74-4- 표준 SMILES
CC(C)(C)[Si](C)(C)OC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CCCN1- InChIKey
ZLULOCHUEDLXQY-OAQYLSRUSA-N- 분자식
- C27H29F12NOSi
- 평균 분자량
- 639.6 g/mol
- 단동위원소 질량
- 639.18267972
이름 및 식별자
- 우선 이름
- (R)-2-(Bis(3,5-bis(trifluoromethyl)phenyl)((tert-butyldimethylsilyl)oxy)methyl)pyrrolidine
- IUPAC
- [bis[3,5-bis(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methoxy]-tert-butyl-dimethylsilane
- 현지명
- (R)-2-(비스(3,5-비스(트리플루오로메틸)페닐)(tert-부틸디메틸실릴옥시)메틸)피롤리딘
- 영어명
- (R)-2-(bis(3,5-bis(trifluoroMethyl)phenyl)(tert-butyldiMethylsilyloxy)Methyl)pyrrolidine
- 분자식
- C27H29F12NOSi
- 분자량
- 639.59
이름 및 동의어
1146629-74-4(R)-2-(Bis(3,5-bis(trifluoromethyl)phenyl)((tert-butyldimethylsilyl)oxy)methyl)pyrrolidine(2R)-2-[Bis[3,5-bis(trifluoromethyl)phenyl]-[(tert-butyldimethylsilyl)oxy]methyl]pyrrolidineC27H29F12NOSiMFCD15528963[bis[3,5-bis(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methoxy]-tert-butyl-dimethylsilane(2R)-2-{BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL][(TERT-BUTYLDIMETHYLSILYL)OXY]METHYL}PYRROLIDINEPyrrolidine, 2-[bis[3,5-bis(trifluoromethyl)phenyl][[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (2R)-(R)-2-[Bis[3,5-bis(trifluoromethyl)phenyl][(tert-butyldimethylsilyl)oxy]methyl]pyrrolidine(R)-2-(bis(3,5-bis(trifluoromethyl)phenyl)(tert-butyldimethylsilyloxy)methyl)pyrrolidineSCHEMBL3004477DTXSID50733871
이름 더 보기
(R)-2-(비스(3,5-비스(트리플루오로메틸)페닐)(tert-부틸디메틸실릴옥시)메틸)피롤리딘(R)-α,α-Bis[3,5-bis(trifluoromethyl)phenyl]prolinol tert-butyldimethylsilyl ether(R)-2-{Bis[3,5-bis(trifluoromethyl)phenyl](tert-butyldimethylsilanyloxy)methyl}pyrrolidine
물성
구조 계산 물성
- 극성 표면적
- 21.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 827
물리화학적 성질
- 끓는 점
- 419 · 419.0±40.0 °C(Predicted)
- 밀도
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 산도 계수 (pKa)
- 9.45 · 9.45±0.10(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- risk_code
- 22-37/38-41-54
- hazard_code
- C,N
- safety_code
- 26-39
화학 및 산업
공급사30 곳
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
北京绿百草科技发展有限公司010-61136123 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
上海迪外化工科技有限公司021-61551100
上海遐瑞医药科技有限公司+86 21 61551611
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
苏州名德生物科技有限公司13915541704 · [email protected]
관련 반응
10건
화합물 노트
불러오는 중…