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기본 정보
- CAS
791616-62-1- 표준 SMILES
O=P1(O)Oc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc3ccccc3c2-c2c(c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc3ccccc23)O1- InChIKey
DQORDVSQWPKAQJ-UHFFFAOYSA-N- 분자식
- C36H17F12O4P
- 평균 분자량
- 772.5 g/mol
- 단동위원소 질량
- 772.06728429
개요
See other relationships...
이름 및 식별자
- 우선 이름
- (S)-(+)-3,3'-Bis(3,5-bis(trifluoromethyl)phenyl)-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate
- IUPAC
- 10,16-bis[3,5-bis(trifluoromethyl)phenyl]-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
- 영어명
- (R)-3,3'-Bis(3,5-bis(trifluoromethyl)pH&
- 분자식
- C36H17F12O4P
- 분자량
- 772.47
이름 및 동의어
(S)-(+)-3,3'-Bis(3,5-bis(trifluoromethyl)phenyl)-1,1'-binaphthyl-2,2'-diyl hydrogenphosphateRefChem:407615635-853-3791616-62-1878111-17-2MFCD08689863(R)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binapthyl-2,2'-diyl hydrogenphosphate(R)-2,6-bis(3,5-bis(trifluoromethyl)phenyl)-4-hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide(11bS)-2,6-Bis(3,5-bis(trifluoromethyl)phenyl)-4-hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide(R)-3,3 inverted exclamation marka-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1 inverted exclamation marka-binaphthyl-2,2 inverted exclamation marka-diyl hydrogenphosphate(R)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate(R)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthyl-2,2'-diyl Hydrogen Phosphate
이름 더 보기
SF110005(R)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthalene-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-7-indolinecarboxylic acid
물성
구조 계산 물성보충 중
- XLogP
- 11.6
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,210
물리화학적 성질
- 녹는점
- 162 · 162-175 °C
- 끓는 점
- 722.1 · 722.1±70.0 °C(Predicted)
- 밀도
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 1.09 · 1.09±0.20(Predicted)
- 물리적 상태
- 가루
- 색상
- 흰색에서 밝은 노란색
- InChIKey
- DQORDVSQWPKAQJ-UHFFFAOYSA-N
- SMILES
- O1C2=C(C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C=C3C(=C2C2=C4C(C=CC=C4)=CC(C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=C2OP1(=O)O)C=CC=C3
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29319090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도As a chiral Bronsted acid, BINOL- derived cyclic phosphoric acid (such as Akiyama chiral Bronsted acid) was also shown to be an efficient catalyst for the hydrophosphonylation of aldimines at room temperature.
일반 설명(R)-3,3′-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1′-binaphthyl-2,2′-diyl hydrogenphosphate is a BINOL-based chiral phosphoric acid, which can efficiently catalyze the nucleophilic addition to imine substrates. [BINOL=1,1′-bi-2-naphthol]
공급사63 곳
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
江苏南创化学与生命健康研究院有限公司15720605021 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [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]
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