기본 정보
- CAS
944836-22-0- 표준 SMILES
CC(C)(C)[C@H]1COC(c2cc(C(F)(F)F)ccc2P(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)=N1- InChIKey
FIQFFQBQQIDYQG-HSZRJFAPSA-N- 분자식
- C28H23F9NOP
- 평균 분자량
- 591.4 g/mol
이름 및 식별자
- 우선 이름
- (S)-2-(2-(bis(4-(Trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole
- IUPAC
- [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]-bis[4-(trifluoromethyl)phenyl]phosphane
- 영어명
- (4S)-2-[2-[Bis[4-(trifluoromethyl)phenyl]phosphino]-5-(trifluoromethyl)phenyl]-4-tert-butyl-4,5-dihydrooxazole
- 분자식
- C28H23F9NOP
- 분자량
- 591.45
이름 및 동의어
944836-22-0(S)-2-(2-(bis(4-(Trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole(4S)-2-[2-[Bis[4-(trifluoromethyl)phenyl]phosphino]-5-(trifluoromethyl)phenyl]-4-(1,1-dimethylethyl)-4,5-dihydrooxazoleMFCD32670826(S)-(CF3)3-t-Bu-PHOX[2-[(4S)-4-tert-butyl-4,5-dihydrooxazol-2-yl]-4-(trifluoromethyl)phenyl]-bis[4-(trifluoromethyl)phenyl]phosphaneC28H23F9NOP(S)-2-[2-[Bis[4-(trifluoromethyl)phenyl]phosphino]-5-(trifluoromethyl)phenyl]-4-(tert-butyl)-4,5-dihydrooxazoleSCHEMBL15303683FIQFFQBQQIDYQG-HSZRJFAPSA-NAKOS040768407(4S)-2-[2-[Bis[4-(trifluoromethyl)phenyl]phosphino]-5-(trifluoromethyl)phenyl]-4-tert-butyl-4,5-dihydrooxazole
이름 더 보기
(S)-2-{2-[Bis-(4-trifluoromethyl-phenyl)-phosphanyl]-5-trifluoromethyl-phenyl}-4-tert-butyl-4,5-dihydro-oxazoleOxazole, 2-[2-[bis[4-(trifluoromethyl)phenyl]phosphino]-5-(trifluoromethyl)phenyl]-4-(1,1-dimethylethyl)-4,5-dihydro-, (4S)-
SY421287E75066F847604[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]-bis[4-(trifluoromethyl)phenyl]phosphane
물성
구조 계산 물성
- XLogP
- 8.6
- 극성 표면적
- 21.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 844
물리화학적 성질
- 끓는 점
- 514.4 · 514.4±50.0 °C(Predicted)
- 저장 조건
- -20 °C · Storage temp. -20°C
- 산도 계수 (pKa)
- 3.75 · 3.75±0.70(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
공급사13 곳
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毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
北京绿百草科技发展有限公司010-61136123 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
上海安屹诺生物医药科技有限公司021-34625901 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
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