Benzyltriphenylphosphonium bromide

HCID 2734970CAS 1449-46-3

기본 정보

표준 SMILES: [Br-].c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIKey: WTEPWWCRWNCUNA-UHFFFAOYSA-M
분자식: C25H22BrP
평균 분자량: 433.3 g/mol
단동위원소 질량: 432.06424943

이름 및 식별자

우선 이름: Benzyltriphenylphosphonium bromide
IUPAC: benzyl(triphenyl)phosphanium bromide
영어명: Benzyltriphenylphosphonium bromide
분자식: C25H22BrP
분자량: 433.32

이름 및 동의어

Benzyltriphenylphosphonium bromideEINECS 215-908-4NSC 54813RefChem:567008215-908-41449-46-3Phosphonium, triphenyl(phenylmethyl)-, bromide (1:1)Benzyl triphenyl phosphonium bromideBromo(benzyl)triphenylphosphoraneC25H22BrPbenzyl triphenylphosphonium bromidebenzyl(triphenyl)phosphanium;bromide

이름 더 보기

TZPSKL082CAS1449-46-3BenzyltriphenBenzyl triphenyl phoBenzyl threephosphoniuM broMideBenzyltriphenylphosphine bromideBenzyltriphenylphosphanium bromid

MFCD00031707(Phenylmethyl)triphenylphosphonium bromidebenzyltriphenylphosphanium bromidebenzyl(triphenyl)phosphonium bromide(Phenylmethyl)triphenylphosphonium bromide,; Bromo(benzyl)triphenylphosphorane;PHOSPHONIUM, TRIPHENYL(PHENYLMETHYL)-, BROMIDEZU75GQ8UMZSCHEMBL163158

데이터베이스 식별자

CAS: 1449-46-3
PubChem CID: 2734970
DTXSID: DTXSID50932443
ChEMBL: CHEMBL172390
UNII: ZU75GQ8UMZ
EC Number: 215-908-4

물성

구조 계산 물성

극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 5
무거운 원자 수: 27
형식 전하: 0
복잡도: 347

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Phosphorus Compounds

Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 295 · 295-298 °C(lit.)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 고체
색상: 흰색에서 거의 흰색
수용성: 물에 용해됩니다.
BRN: 3599867 · 3599867
InChI: InChI=1S/C25H22P.BrH/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20H,21H2;1H/q+1;/p-1
InChIKey: WTEPWWCRWNCUNA-UHFFFAOYSA-M
SMILES: [P+](CC1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)C1=CC=CC=C1.[Br-]

화학적 성질

WHITE CRYSTALLINE 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryA skin and strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS] See Tetraphenylphosphonium chloride and Methyltriphenylphosphonium bromide.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29319090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
포장분류: III
위험 등급: 6.1
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Benzyltriphenylphosphonium bromide is used as a reactant for stereoselective azidolysis of vinyl epoxides, enantioselective aziridination and Friedel-Crafts cyclization for asymmetric synthesis of dihydrexidine, biomimetic iron(III) mediated oxidative dimerization for synthesis of benzoquinone parvistemin A, enantioselective synthesis of syn-diarylheptanoids from D-glucose, preparation of β-amyloid plaque ligands and decarboxylative cyclopropanation. It react with 4-methyl-oxetan-2-one to produce 4-hydroxy-1-phenyl-1-(triphenyl-l5-phosphanylidene)-pentan-2-one.