2-(1,3-디옥산-2-일)에틸트리페닐포스포늄 브롬화물
2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromide
기본 정보
- CAS
69891-92-5- 표준 SMILES
[Br-].c1ccc([P+](CCC2OCCCO2)(c2ccccc2)c2ccccc2)cc1- InChIKey
XETDBHNHTOJWPZ-UHFFFAOYSA-M- 분자식
- C24H26BrO2P
- 평균 분자량
- 457.3 g/mol
- 단동위원소 질량
- 456.0853788
이름 및 식별자
- 우선 이름
- 2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromide
- IUPAC
- 2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium bromide
- 현지명
- 2-(1,3-디옥산-2-일)에틸트리페닐포스포늄 브롬화물
- 영어명
- 2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromide
- 분자식
- C24H26BrO2P
- 분자량
- 457.35
이름 및 동의어
2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromideEINECS 274-189-5RefChem:450414274-189-569891-92-5(2-(1,3-Dioxan-2-yl)ethyl)triphenylphosphonium bromide[2-(1,3-DIOXAN-2-YL)ETHYL]TRIPHENYLPHOSPHONIUM BROMIDEMFCD000120002-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium;bromideSCHEMBL667642DTXSID60990170XQAUPNAYCIKWCT-UHFFFAOYSA-M
이름 더 보기
2-(1,3-디옥산-2-일)에틸트리페닐포스포늄브롬화물Wittig reagentLABOTEST-BB LT00233223DIOXANETHYLTRIPHENYLPHOSPHONIUMBROMIDE2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium2-(1,3-Dioxan-2-yl)ethyltriphenylphosphanium bromide2-(1,3)-DIOXANE-2-YL）ETHYLTRIPHENYLPHOSPHONIUM BROMIDE2-(1,3-Dioxan-2-yl)Ethylütriphenylphosphonium bromide2-(1,3-Dioxan-2-yl)ethyltriphenylphosphoniumBromide>Phosphonium, [2-(1,3-dioxan-2-yl)ethyl]triphenyl-, bromide
MSK168129AKOS015833066CS-W009647SY060198D1655NS00063129ST504087561,3-dioxan-2-ylethyltriphenylphosphinebromide
데이터베이스 식별자
- CAS
69891-92-5- PubChem CID
- 2724168
- DTXSID
DTXSID60990170- EC Number
- 274-189-5
물성
구조 계산 물성
- 극성 표면적
- 18.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 371
물리화학적 성질
- 녹는점
- 193 · 193-195 °C (lit.)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 수용성
- 물에 용해됨
- 물리적 상태
- 고체
- 색상
- 흰색에서 밝은 노란색
- BRN
- 4117571 · 4117571
- InChI
- InChI=1S/C24H26O2P.BrH/c1-4-11-21(12-5-1)27(22-13-6-2-7-14-22,23-15-8-3-9-16-23)20-17-24-25-18-10-19-26-24;/h1-9,11-16,24H,10,17-20H2;1H/q+1;/p-1
- InChIKey
- XETDBHNHTOJWPZ-UHFFFAOYSA-M
- SMILES
- [P+](C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)CCC1OCCCO1.[Br-]
화학적 성질
white to light brown powder
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
- 2931599090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- F 고인화성물질
- 10-21
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromide can be used:As a three-carbon homologating agent used to prepare α,β- or β,γ- unsaturated compounds.In the olefination of methyl 5-oxopentanoate to yield methyl 7-(1,3-dioxan2-yl)hept-(5Z)-enoate.As a cathode interfacial layer material in polymer solar cells.
관련 반응
38건
화합물 노트
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