(2-(tert-Butoxy)-2-oxoethyl)triphenylphosphonium chloride

HCID 16211488CAS 35000-37-4

基本情報

標準SMILES: CC(C)(C)OC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIKey: PWEGQXPODNSKMU-UHFFFAOYSA-M
分子式: C24H26ClO2P
平均分子量: 412.9 g/mol
単同位体質量: 412.13589438

名称と識別子

優先名称: (2-(tert-Butoxy)-2-oxoethyl)triphenylphosphonium chloride
IUPAC: [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-triphenylphosphanium chloride
英語名: (tert-Butoxycarbonylmethyl)triphenylphosphonium chloride
分子式: C24H26ClO2P
分子量: 412.89

名称と別名

(2-(tert-Butoxy)-2-oxoethyl)triphenylphosphonium chlorideEC 609-051-9[2-(tert-Butoxy)-2-oxoethyl]triphenylphosphonium ChlorideRefChem:395189609-051-935000-37-4(tert-Butoxycarbonylmethyl)triphenylphosphonium chlorideMFCD00043160DTXSID70583436[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-triphenylphosphanium;chloride(2-tert-Butoxy-2-oxo-ethyl)-triphenyl-phosphonium chloride(Tert-Buloxycarbonylmethyl)Triphenylphosphonium Chloride

名称をさらに表示

Carbo-tert-butoxymethyl triphenylphosphonium chloride(TERT-BUTOXYCARBONYLMETHYL)TRIPHENYLPHOSPHONIUM CHLORIDE, 98[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-triphenylphosphanium:chloride

(tert-butoxycarbonylmethyl)triphenyl-phosphonium chlorideC24H26ClO2PSCHEMBL666872AKOS015833185SY336061DB-013689NS00020799(2-(tert-Butoxy)-2-oxoethyl)triphenylphosphon

データベース識別子

CAS: 35000-37-4
PubChem CID: 16211488
DTXSID: DTXSID70583436
EC Number: 609-051-9

物性

構造計算による物性

極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 7
重原子数: 28
形式電荷: 0
複雑度: 418

物理化学的性質

融点: 191 · 191-193°C
蒸気圧: 0.001 Pa · 0.001Pa at 20℃
外見: solid
BRN: 4116684 · 4116684
InChI: 1S/C24H26O2P.ClH/c1-24(2,3)26-23(25)19-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,19H2,1-3H3;1H/q+1;/p-1
InChIKey: PWEGQXPODNSKMU-UHFFFAOYSA-M
SMILES: [Cl-].CC(C)(C)OC(=O)C[P+](c1ccccc1)(c2ccccc2)c3ccccc3
表面張力: 70.5 mN/m · 70.5mN/m at 1g/L and 20.1℃
CAS データベース: 35000 · 35000-37-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (97.7%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 08-12-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16594

Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)

安全データ

F: 3-9
wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用Reactant for:Stereoselective preparation of (arylamino)quinazoline derivatives bearing tethered acrylamide moieties as inhibitors of epidermal growth factor receptor and histone deacetylaseThermal decomposition reactions

サプライヤー31 社

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上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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