1-Diethoxyphosphorylpropan-2-one (HCID 14028)

名称と識別子

優先名称: 1-Diethoxyphosphorylpropan-2-one
IUPAC: 1-diethoxyphosphorylpropan-2-one
現地名: (2-オキソプロピル)ホスホン酸ジエチル
英語名: Diethyl (2-oxopropyl)phosphonate
分子式: C7H15O4P
分子量: 194.17

名称と別名

1-diethoxyphosphorylpropan-2-oneRefChem:432077682-094-9Diethyl (2-oxopropyl)phosphonate1067-71-6DIETHYL ACETONYLPHOSPHONATEMFCD00044728(2-Oxopropyl)phosphonic Acid Diethyl EsterAcetonylphosphonic Acid Diethyl Ester(2-oxo-propyl)-phosphonic acid diethyl esterDiethyl(2-oxopropyl)phosphonatediethyl 2-oxopropylphosphonate

名称をさらに表示

(2-オキソプロピル)ホスホン酸ジエチルアセトニルホスホン酸ジエチル(2‐オキソプロピル)ホスホン酸ジエチルジエチル(2-オキソプロピル)ホスホナート1-(ジエトキシホスフィニル)アセトン2-オキソプロピルホスホン酸ジエチルジエトキシ(2-オキソプロピル)ホスフィンオキシド1-(ジエトキシホスフィニル)-2-プロパノンジエチル (2-オキソプロピル)ホスホナートAURORA KA-1476DIETHYL ACETYLPHOSPHONATEDiethyl (2-oxopropyl)phosphoteDiethyle(2-oxopropyl)phosphonateDiethyl(2-Oxopropyl)phosphonate>

Phosphonic acid, (2-oxopropyl)-, diethyl esterNSC408852Diethyl acetylmethylphosphonateSCHEMBL2468131-Diethoxyphosphinyl-2-propanoneDTXSID901477311-diethoxyphosphoryl-propan-2-oneSTR04005

データベース識別子

CAS: 1067-71-6
PubChem CID: 14028
DTXSID: DTXSID90147731
EC Number: 682-094-9
Nikkaji: J584.455J

物性

構造計算による物性

XLogP: 0
極性表面積: 52.6 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 6
重原子数: 12
形式電荷: 0
複雑度: 180

物理化学的性質

沸点: 126 °C9 · 126 °C9 mm Hg(lit.)
比重(密度): 1.01 g/mL · 1.01 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.433(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: テトラヒドロフラン、エーテル、ジクロロメタン、クロロホルムと混和します。
外見: 液体
色: 無色透明～薄黄色
InChI: InChI=1S/C7H15O4P/c1-4-10-12(9,11-5-2)6-7(3)8/h4-6H2,1-3H3
InChIKey: RSAFKRSMGOSHRK-UHFFFAOYSA-N
SMILES: P(CC(=O)C)(=O)(OCC)OCC
CAS データベース: 1067 · 1067-71-6(CAS DataBase Reference)

化学的性質

化学的特性CLEAR COLORLESS TO LIGHT YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (33.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.；There are 2 notifications provided by 2 of 3 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Irrit. 2 (66.7%)；Eye Dam. 1 (33.3%)；Eye Irrit. 2A (33.3%)；Acute Tox. 4 (33.3%)；STOT SE 3 (33.3%)；Aquatic Chronic 2 (33.3%)

安全データ

wgk: 3
hs_code: 29319090
消防法: 危-4-3-III
safety_code: 24/25
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野

使用Diethyl (2-Oxopropyl)phosphonate, is used in the preparation of enantipure acetoxyalkanephosphonates thru dynamic enzymic kinetic resolution alpha- and beta-hydroxalkanephosphonates.