기본 정보
- CAS
791630-00-7- 표준 SMILES
c1ccc2c3c(ccc2c1)CP(CCNCCP1Cc2ccc4ccccc4c2-c2c(ccc4ccccc24)C1)Cc1ccc2ccccc2c1-3- InChIKey
VMLOJVKKOABMEO-UHFFFAOYSA-N- 분자식
- C48H41NP2
- 평균 분자량
- 693.8 g/mol
- 단동위원소 질량
- 693.27142431
이름 및 식별자
- 우선 이름
- Bis(2-(3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)ethyl)amine
- IUPAC
- 2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-N-[2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)ethyl]ethanamine
- 영어명
- Bis(R-2-(4,5-dihydro-3H-binaphtho[1,2-c:2,1-e]-phosphepino)ethyl)amine
- 분자식
- C48H41NP2
- 분자량
- 693.79
이름 및 동의어
851870-89-8Bis(2-(3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)ethyl)amine791630-00-7Bis((11bR)-2-(3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)ethyl)amine2,2'-Bis[(R-1,1'-binaphthyl-2,2'-dimethyl)phosphino]diethylamineBis((11bS)-2-(3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)ethyl)amine2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-N-[2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)ethyl]ethanamineSCHEMBL14355985SCHEMBL29785188CS-W011405Bis{2-[(11bR)-3,5-dihydro-4H-dinaphtho[2,1-c2,2'-Bis[(S-1,1'-binaphthyl-2,2'-dimethyl)phosphino]diethylamine, 97%
이름 더 보기
2,2μ-Bis[(R-1,1μ-binaphthyl-2,2μ-dimethyl)phosphino]diethylamine2,2μ-Bis[(S-1,1μ-binaphthyl-2,2μ-dimethyl)phosphino]diethylamineBis(R-2-(4,5-dihydro-3H-binaphtho[1,2-c:2,1-e]-phosphepino)ethyl)amine2,2′-Bis[(R-1,1′-binaphthyl-2,2′-dimethyl)phosphino]diethylamine
물성
구조 계산 물성
- XLogP
- 9.6
- 극성 표면적
- 12 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 974
물리화학적 성질
- 녹는점
- 230 · 230-236 °C
- 산도 계수 (pKa)
- 9.61 · 9.61±0.19(Predicted)
- 물리적 상태
- solid
- InChIKey
- VMLOJVKKOABMEO-UHFFFAOYSA-N
- SMILES
- C(CP1Cc2ccc3ccccc3c2-c4c(C1)ccc5ccccc45)NCCP6Cc7ccc8ccccc8c7-c9c(C6)ccc%10ccccc9%10
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
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
공급사3 곳
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海安屹诺生物医药科技有限公司021-34625901 · [email protected]
관련 반응
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