2-(1,3-디옥산-2-일)에틸트리페닐포스포늄 브롬화물

2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromide

HCID 2724168CAS 69891-92-5

부분 구조 검색 유사 구조 찾기

기본 정보

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 Å²
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

GHS 분류

GHS Classification · 4건

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 · 1건

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.