Diethyl cyanophosphonate (HCID 76257)

概要

reagent for solid phase peptide synthesis; structure

名称と識別子

優先名称: Diethyl cyanophosphonate
IUPAC: diethoxyphosphorylformonitrile
現地名: シアノホスホン酸ジエチル
英語名: Diethyl cyanophosphonate
分子式: C5H10NO3P
分子量: 163.11

名称と別名

Diethyl cyanophosphonate2942-58-7Diethyl phosphorocyanidatePhosphorocyanidic acid, diethyl esterDiethylphosphorocyanidateDiethylcyanophosphonatePAD4WPZ7T0diethoxyphosphoryl cyanideDTXSID90183639DCNP cpdRefChem:587426DTXCID80106130

名称をさらに表示

シアノホスホン酸ジエチルシアノホスホン酸ジエチルジエチルシアノホスホン酸ジエチルホスホロシアニダートシアノりん酸ジエチルジエチルシアノホスホナートジエチルりん酸シアニドシアニドりん酸ジエチルジエトキシシアノホスフィンオキシドジエチルシアノホスホナートホスホロシアニド酸ジエチルシアノジエトキシホスフィンオキシドDEPCDIETHYLPHOSPHORYL CYANIDE(ETO)2P(O)CNDiethypyrocarbonateDiethyl cyanophospho

220-936-5diethoxyphosphorylformonitrileDiethylcyanophosphateCyanophosphonic Acid Diethyl EsterDiethyl cyanidophosphatediethyl cyanophosphateDiethoxy-phosphoryl cyanideDiethyl cyanophosphosphonate

データベース識別子

CAS: 2942-58-7
PubChem CID: 76257
DTXSID: DTXSID90183639
UNII: PAD4WPZ7T0
EC Number: 220-936-5
Nikkaji: J50.413K

物性

構造計算による物性

XLogP: 0.3
極性表面積: 59.3 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: 4
重原子数: 10
形式電荷: 0
複雑度: 173

実験および物理化学的性質

Chemical ClassesOther Uses -> Biochemical Research

Physical DescriptionYellow liquid; [Alfa Aesar MSDS]

物理化学的性質

沸点: 104 · 104-105 °C19 mm Hg(lit.)
比重(密度): 1.075 g/mL · 1.075 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.403(lit.)
闪点: 177 °F · 177 °F
貯蔵温度: 2 · 2-8°C
溶解性: Acetonitrile (Slightly), Chloroform (Slightly)
外見: 液体
比重: 1.075 · 1.075
色: 無色透明～黄色
水溶解度: 分解する
BRN: 1768938 · 1768938
安定性: Moisture Sensitive
InChI: 1S/C5H10NO3P/c1-3-8-10(7,5-6)9-4-2/h3-4H2,1-2H3
InChIKey: ZWWWLCMDTZFSOO-UHFFFAOYSA-N
SMILES: CCOP(=O)(OCC)C#N
CAS データベース: 2942 · 2942-58-7(CAS DataBase Reference)
NISTの化学物質情報: Diethyl cyanophosphonate(2942-58-7)

化学的性質 · 1 件

化学的特性Diethyl cyanophosphonate is a clear colourless to yellow liquid. It soluble in most common organic solvents , such as dimethylformamide , tetrahydrofuran , diethyl ether , and toluene. Diethyl cyanophosphonate is highly toxic and corrosive. lt must be handled in awell-ventilated fume hood. In addition, it is moisture sensitive and should bestored in a refrigerator under nitrogen.

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H300+H310+H330 (75%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards Summary · 1 件

Intraperitoneal LD50 (mouse) = 1.4 mg/kg; [RTECS] Hydrolyzed by water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Highly toxic by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS] See Tabun.

Hazard Classes and CategoriesAcute Tox. 2 (98.1%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

F: 10-13-21
wgk: 3
rtecs: TD2500000
ridadr: UN 2922 8/PG 2
hs_code: 29319090
risk_code: 34-32-26/27/28
化審法: (9)-563
消防法: 危-4-3-III
hazard_code: C,Xi,T+
hazard_note: Irritant
safety_code: 26-36-45-50A-36/37/39-28A-36/37-28
hazard_class: 8
packing_group: II
毒劇物取締法: III
Hazard Classifications: Acute Tox. 2 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralEye Dam. 1Skin Corr. 1B
ストレージクラス: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

化学と産業

用途と製造

UsesReagent for solid phase peptide synthesis. [ChemIDplus]

応用分野 · 3 件

用途ペプチドのカルボキシル基を活性化し、酸アミド結合を形成させる縮合剤。

使用Diethyl cyanophosphonate was used in the synthesis of 4-acylthiol-4-deoxy-4′-demethyl epipodophyllotoxin analogs. Coupling reagent for peptide synthesis. Reagent for the phosphorylation of phenols. Activating agent for fluorescent derivatization of carboxylic acids which allows separation by HPLC.

一般的な説明Diethyl cyanophosphonate (DCNP, a Tabun mimic, DECP) is a nerve agent simulant. Its detection by using fluorescein, a reversible fluorescent sensor, has been reported. Its degradation in the presence of suitable organocatalysts (different amines, aminoalcohols and glycols) has been studied.

上流・下流製品情報

上流原料

りん酸O,O-ジエチル臭化シアン 1-(2-ヒドロキシエトキシメチル)-6-フェニルチオチミン亜ホスホロシアニド酸ジエチルヨードシアニドクロロカルボニルスルフェニルクロリドシアン化カリウムクロロりん酸ジエチル

下流製品

ホスカルネットナトリウム 1H-1-ベンゾアゼピン-2,5(3H,4H)-ジオン tert-butyl (5S,8S,11S,12R)-11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,8-diisopropyl-12-methoxy-4,10-dimethyl-3,6,9-trioxo-2-oxa-4,7,10-triazatetradecan-14-oate 4-Cyanotetrahydro-4H-pyran パジナクロン (3-イソシアノブチル)ベンゼン

サプライヤー50 社

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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

LIDE PHARMACEUTICALS LIMITED+852-55945652 · [email protected]

シアノホスホン酸ジエチル

基本情報

概要