diethyl 4-nitrophenyl phosphate

• ChemBase编号: 132299
• 分子式: C10H14NO6P
• 平均质量: 275.195021
• 单一同位素质量: 275.0558738
• SMILES: CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-]
• Canonical SMILES: CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC
• InChI: InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
• InChIKey: WYMSBXTXOHUIGT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: diethyl 4-nitrophenyl phosphate
• IUPAC传统名: paraoxon; diethyl 4-nitrophenyl phosphate
• 别名: 对氧磷; 对硝基苯磷酸二乙酯; O,O-二乙基磷酸对硝基苯酯; O,O-二乙基磷酸对硝基苯酯; 乙基对氧磷; 对氧磷; Paraoxon-ethyl; Diethyl p-nitrophenyl phosphate; Paraoxon-ethyl; O,O-Diethyl O-(4-nitrophenyl) phosphate; O,O-Diethyl O-(4-nitrophenyl) phosphate; Paraoxon; Eticol; Fosfakol; Miotisal A; Phosphacol; Soluglaucit; Phosphoric Acid Diethyl 4-Nitrophenyl Ester; 4-Nitrophenyl Diethyl Phosphate; Chinorto; Diethyl 4-Nitrophenyl Phosphate; Mintacol; Miotisal; Phosphachole; Phosphakol; Paraoxon

登记号

• CAS号: 311-45-5
• EC号: 206-221-0
• MDL号: MFCD00007316
• Beilstein号: 1915526
• PubChem SID: 162226576; 24899254; 24894279; 24862269
• PubChem CID: 9395

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.4253368
• LogD (pH = 7.4): 2.4253368
• Log P: 2.4253368
• 摩尔折射率: 64.6983 cm^3
• 极化性: 25.075983 Å^3
• 极化表面积: 90.58 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Ether; Hexane
• 外观: Pale Yellow Liquid; yellow oil
• 沸点: 169-170°C
• 密度: 1.274 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.51(lit.)

安全信息

• 保存条件: Refrigerator, Under Inert Atmosphere
• RTECS编号: TC2275000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 2810
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 1
• 危险公开号: 26/27/28-50
• 安全公开号: 36/37/39-45-61
• GHS危险品标识: GHS06; GHS09
• GHS警示词: Danger
• GHS危险声明: H300-H310-H330-H400
• GHS警示性声明: P260-P264-P273-P280-P284-P301 + P310; P260-P264-P273-P280-P284-P302 + P350
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 1
• 保存温度: 2-8°C

药理学性质

• 相关基因信息: human ... PON1(5444)
• 生物活性机理: Acetylcholinesterase inhibitor; Parasympathomimetic

产品相关信息

• 纯度: ≥90%; 90%
• 级别: analytical standard; PESTANAL®, analytical standard; technical grade
• 包装: ampule of 100 mg
• 杂质: ≤10% 4-nitrophenol
• 应用领域: Cholinergic, miotic, insecticide
• 线性分子式: O2NC6H4OP(O)(OC2H5)2

详细说明

Sigma Aldrich - D9286

Biochem/physiol Actions
Potent irreversible acetylcholinesterase inhibitor
包装
1 g in glass bottle
Sealed ampule
Physical form
Oily liquid
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. D9286.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. D9286.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Sigma Aldrich - 855790

Biochem/physiol Actions
Potent irreversible acetylcholinesterase inhibitor

Sigma Aldrich - 36186

Biochem/physiol Actions
Potent irreversible acetylcholinesterase inhibitor
法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - PS610

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Biochem/physiol Actions
Potent irreversible acetylcholinesterase inhibitor

Toronto Research Chemicals - P191850

A cholinesterase inhibitor.

参考文献

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• Boyd, G.R., J. Agric. Food Chem., 1970, 18, 742-743, (synth)
• Ashani, Y. et al., J. Med. Chem., 1973, 16, 446-450, (props)
• Holmstead, R.L. et al., J. Assoc. Off. Anal. Chem., 1974, 57, 1050-1055, (ms)
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• Horner, L. et al., Annalen, 1977, 61-76, (props)
• Stan, H.-J. et al., Fresenius' Z. Anal. Chem., 1977, 287, 271-285, (glc, ms)
• Stan, H.-J. et al., Biomed. Environ. Mass Spectrom., 1982, 9, 483-492, (ms)
• Ripley, B.D. et al., J. Assoc. Off. Anal. Chem., 1983, 66, 1084-1095, (glc)
• Stan, H.-J. et al., J. Chem. Res., 1983, 279, 173-187, (glc, anal)
• Butler, E.G., CA, 1984, 101, 165 142, (metab)
• Dangerous Prop. Ind. Mater. Rep., 1994, 14, 532-548, (rev, haz)
• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, NIM500