Allyltriphenylphosphonium bromide

HCID 197740CAS 1560-54-9

기본 정보

표준 SMILES: C=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey: FWYKRJUVEOBFGH-UHFFFAOYSA-M
분자식: C21H20BrP
평균 분자량: 383.3 g/mol
단동위원소 질량: 382.0486

이름 및 식별자

우선 이름: Allyltriphenylphosphonium bromide
IUPAC: triphenyl(prop-2-enyl)phosphanium bromide
영어명: Allyltriphenylphosphonium bromide
분자식: C21H20BrP
분자량: 383.26

이름 및 동의어

Allyltriphenylphosphonium bromide1560-54-9Triphenyl allylphosphonium bromidePhosphonium, triphenyl-2-propenyl-, bromidePhosphonium, allyltriphenyl-, bromideEINECS 216-332-6QT9PR2Z47KNSC 59815NSC 110609Phosphonium, triphenyl-2-propen-1-yl-, bromide (1:1)NSC-59815NSC-110609

이름 더 보기

TALTALHTAL-HTALDORallyltriphenylphosphoniumallyltriphenyl-phosphoniubromideAllytriphenylphosphonium bromide

TRIPHENYLALLYLPHOSPHONIUM BROMIDERefChem:554927Phosphonium, triphenyl-2-propenyl-, bromide (9CI)216-332-6MFCD00011808triphenyl(prop-2-en-1-yl)phosphanium bromidetriphenyl(prop-2-enyl)phosphanium;bromideWLN: 1U2PR&R&R &E

데이터베이스 식별자

CAS: 1560-54-9
PubChem CID: 197740
DTXSID: DTXSID90935337
ChEMBL: CHEMBL3229256
UNII: QT9PR2Z47K
EC Number: 216-332-6

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: 284

물리화학적 성질

녹는점: 222 · 222-225 °C (lit.)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 가루
색상: 하얀색
수용성: 물에서 분해되다
BRN: 3579053 · 3579053
InChI: InChI=1S/C21H20P.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;/h2-17H,1,18H2;1H/q+1;/p-1
InChIKey: FWYKRJUVEOBFGH-UHFFFAOYSA-M
SMILES: [P+](CC=C)(C1C=CC=CC=1)(C1=CC=CC=C1)C1C=CC=CC=1.[Br-]

화학적 성질

white crystalline powder

안전 및 규제

안전 데이터

wgk: 3
rtecs: TA1843000
독성: mouse,LD50,intravenous,22mg/kg (22mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01708,
HS 번호: 29310095
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Allyltriphenylphosphonium bromide is used for the first time in the preparation of DES. It has been shown to be part of Phosphonium salts, having antiviral activity against influenza virus A. It can be used in witting olefination of aldehydes for preparation of conjugated dienes.