Propyltriphenylphosphonium bromide

HCID 80374CAS 1703757-22-5

기본 정보

표준 SMILES: CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey: XMQSELBBYSAURN-UHFFFAOYSA-M
분자식: C21H22BrP
평균 분자량: 385.3 g/mol
단동위원소 질량: 384.06424943

이름 및 식별자

우선 이름: Propyltriphenylphosphonium bromide
IUPAC: triphenyl(propyl)phosphanium bromide
영어명: Triphenyl(propyl)phosphonium bromide
분자식: C21H22BrP
분자량: 385.28

이름 및 동의어

6228-47-3Propyltriphenylphosphonium bromiden-Propyltriphenylphosphonium bromideTriphenylpropylphosphonium bromide(1-Propyl)triphenylphosphonium bromidetriphenyl(propyl)phosphanium bromidetriphenyl(propyl)phosphanium;bromideMFCD00011843Phosphonium, triphenylpropyl-, bromideC21H22BrPtriphenyl propyl phosphonium bromideTriphenylpropylphosphonium Bromide; Bromo(propyl)triphenylphosphorane; NSC 50539; Propyltriphenylphosphonium Bromide;

이름 더 보기

NSC 50539triphenyl(propTriphenylpropylphospPhosphonium,triphenylpropyl-PropyltriphenylphosphoniuM broPropyltriphenylphosphonium bromldeN-PROPYLTRIPHENYLPHOSPHONIUMCHLORIDE

EINECS 228-330-2n-propyl triphenylphosphonium bromidePropyltriphenylphosphonium(n-Propyl)triphenylphosphoniuMSCHEMBL164032propyl triphenylphosphine bromideCHEMBL3334701Propyltriphenlyphosphonium bromide

데이터베이스 식별자

CAS: 1703757-22-5、6228-47-3
PubChem CID: 80374
DTXSID: DTXSID80977847
ChEMBL: CHEMBL3334701
EC Number: 228-330-2

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: 23
형식 전하: 0
복잡도: 260

물리화학적 성질

녹는점: 236 · 236-238 °C
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: DMSO(약간 용해됨, 가열), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 흰색에서 황백색까지
수용성: 녹는
BRN: 3599726 · 3599726
안정성: 흡습성
InChI: InChI=1S/C21H22P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1
InChIKey: XMQSELBBYSAURN-UHFFFAOYSA-M
SMILES: [P+](CCC)(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 · 5건

This chemical does not meet GHS hazard criteria for 2% (1 of 50) of reports.

Warning

H302 (86%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 12-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30276

Hazard Classes and CategoriesAcute Tox. 4 (86%)

안전 데이터

wgk: 3
HS 번호: 29319090
risk_code: 36/37/38-21/22
hazard_code: Xn
safety_code: 36/37-36/37/39-26
F 고인화성물질: 3-8
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도n-Propyltriphenylphosphonium Bromide, is an analogue of phosphonium, acting as reversible inhibitors of cholinesterases of different animals. It has also been shown to be part of Phosphonium salts, having antiviral activity against influenza virus A.