亜りん酸トリス(トリメチルシリル)

Tris(trimethylsilyl) phosphite

HCID 137213

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1795-31-9
標準SMILES: C[Si](C)(C)OP(O[Si](C)(C)C)O[Si](C)(C)C
InChIKey: VMZOBROUFBEGAR-UHFFFAOYSA-N
分子式: C9H27O3PSi3
平均分子量: 298.54 g/mol
単同位体質量: 298.10056094

名称と識別子

優先名称: Tris(trimethylsilyl) phosphite
IUPAC: tris(trimethylsilyl) phosphite
現地名: 亜りん酸トリス(トリメチルシリル)
英語名: TRIS(TRIMETHYLSILYL)PHOSPHITE
分子式: C9H27O3PSi3
分子量: 298.54

名称と別名

Tris(trimethylsilyl) phosphiteSilanol, 1,1,1-trimethyl-, 1,1',1''-phosphiteRefChem:900400679-684-31795-31-9TRIS(TRIMETHYLSILYL)PHOSPHITEtritrimethylsilyl phosphitePhosphorous Acid Tris(trimethylsilyl) EsterSilanol, trimethyl-, phosphite (3:1)MFCD00015588Trimethylsilanol phosphitePhosphorous acid tris(trimethylsilyl)ester

名称をさらに表示

亜りん酸トリス(トリメチルシリル)トリス(トリメチルシロキシ)ホスフィントリス(トリメチルシリル)ホスファイト亜りん酸トリ(トリメチルシリル)トリス[(トリメチルシリル)オキシ]ホスフィントリトリメチルシリルホスフィットTMSPiDK60493412-5MLris(trimethylsilyl)phosphiteTris(trimethylsiloxy)phosphineTris(trimethylsilyl)Phosphite>

S13860C9H27O3PSi3tris-trimethylsilylphosphiteTris(trimethylsily)phosphiteSCHEMBL269960DTXSID70170820GEO-02592AKOS015856795

データベース識別子

CAS: 1795-31-9
PubChem CID: 137213
DTXSID: DTXSID70170820
EC Number: 679-684-3
Nikkaji: J128.132A

物性

構造計算による物性

極性表面積: 27.7 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: 6
重原子数: 16
形式電荷: 0
複雑度: 179

物理化学的性質

沸点: 78 · 78-81 °C/8 mmHg (lit.)
比重(密度): 0.893 g/mL · 0.893 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.409(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: RT, stored under nitrogen
外見: 液体
比重: 0.893 · 0.893
色: 無色透明
水溶解度: 水にやや溶けにくい。
BRN: 2043814 · 2043814
InChI: InChI=1S/C9H27O3PSi3/c1-14(2,3)10-13(11-15(4,5)6)12-16(7,8)9/h1-9H3
InChIKey: VMZOBROUFBEGAR-UHFFFAOYSA-N
SMILES: [Si](C)(C)(OP(O[Si](C)(C)C)O[Si](C)(C)C)C
CAS データベース: 1795 · 1795-31-9(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 3 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: 15-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/33063

Hazard Classes and CategoriesSkin Irrit. 2 (95.7%)

安全データ

F: 10-21
wgk: 3
tsca: No
ridadr: 1760
hs_code: 29319000
risk_code: 36/38
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36
hazard_class: 8
packing_group: III

化学と産業

応用分野 · 1 件

使用Tris(trimethylsilyl) Phosphite is used in the studies of bisphosphonic acids as effective inhibitor of glutamine synthetase, a promising approach for the discovery of novel drugs against tuberculosis. It also acts as a reagent in the preparation of substituted calix[4]arenes bearing one or two α-hydroxymethylphosphonic acid fragments at upper rim of macrocycle as inhibitors of glutathione S-transferase in vitro.

調製方法 · 1 件

製造方法By silylation of anhydrous phosphorous acid (dried by repeated azeotropic evaporation of a solution in THF with dry benzene) with excess Chlorotrimethylsilane and excess Triethylamine in dimethoxyethane, toluene, or Et2O-THF, followed by evaporation of the solvent and vacuum distillation of the residue. The residue, which contains a mixture of tris(trimethylsilyl) phosphite and bis(trimethylsilyl) phosphonate [HP(O)(OTMS)2], can also be heated with sodium (140 °C, 13-22 h), followed by vacuum distillation to obtain pure tris(trimethylsilyl) phosphite.