CAS 1530-33-2 Isopropyltriphenylphosphonium bromide (HCID 2795292)

基本情報

CAS: 1530-33-2
標準SMILES: CC(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey: HSOZCYIMJQTYEX-UHFFFAOYSA-M
分子式: C21H22BrP
平均分子量: 385.3 g/mol
単同位体質量: 384.06424943

名称と識別子

優先名称: Isopropyltriphenylphosphonium bromide
IUPAC: triphenyl(propan-2-yl)phosphanium bromide
英語名: Isopropyltriphenylphosphonium iodide
分子式: C21H22P.Br
分子量: 385.28

名称と別名

Isopropyltriphenylphosphonium bromide1530-33-2DTXSID50383613RefChem:149866DTXCID20334637625-444-8Isopropyl(triphenyl)phosphonium bromide2-Propyltriphenylphosphonium BromideMFCD00064807triphenyl(propan-2-yl)phosphanium;bromideIsopropyltriphenylphosphoniumbromideAKOS000280724

名称をさらに表示

NSC 113130Isopropyltriphenylbromophosphinetriphenyl(propan-2-yl)phosphaniumIsopropyltriphenylphosphine bromideTriphenyl(propan-2-yl)phosphonium bromide(1-Methylethyl)triphenylphosphoniuM BroMide(1-Methylethyl)triphenyl-phosphoniuM BroMidePhosphoniuM, (1-Methylethyl)triphenyl-, broMide1-Methylethyl)triphenyl-phosphonium bromide (1:1

Isopropyl-triphenyl-phosphonium iodideIsopropyltriphenylphosphonium Bromide; (1-Methylethyl)triphenyl-phosphonium Bromide; Isopropyltriphenylphosphonium Bromide; (1-Methylethyl)triphenylphosphonium Bromide; NSC 113130Isopropyl(triphenyl)phosphoniumbromidetriphenyl(propan-2-yl)phosphanium bromideSCHEMBL1010505Triphenylisopropylphosphonium bromideNSC113130isopropyl(triphenyl)phosphonium;bromide

データベース識別子

CAS: 1530-33-2
PubChem CID: 2795292
DTXSID: DTXSID50383613
EC Number: 625-444-8

物性

構造計算による物性

極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 4
重原子数: 23
形式電荷: 0
複雑度: 271

物理化学的性質

融点: 239 · 239-240 °C
貯蔵温度: Store at room temperature
溶解性: メタノール
外見: 個体
色: 白い
InChI: InChI=1S/C21H22P.BrH/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-18H,1-2H3;1H/q+1;/p-1
InChIKey: HSOZCYIMJQTYEX-UHFFFAOYSA-M
SMILES: CC(C)[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[Br-]

化学的性質

化学的特性WHite Solid

安全と法規制

GHS分類

GHS Classification · 4 件

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.