CAS: 813-78-5; Dimethyl Hydrogen Phosphate

该化合物是一种有机磷化合物,其特点是分子式C2H7O4P.它看起来是一种无色的,粉色的黄色液体,有略微甜味的气味;该物质在水和极地有机溶剂中溶解,在各种应用中具有多种用途;二甲基磷酸盐主要用作有机合成的试剂和生产农业化学品的中间体,包括杀虫剂和除草剂;还用于制造塑胶剂和阻燃剂;该化合物具有中等毒性,接触可能通过吸入,摄入或皮肤接触发生,在处理过程中需要采取适当的安全措施;此外,二甲基磷酸盐在水中可水解,形成甲醇和磷酸,这可能会影响其在环境环境中的行为;

英文名称Dimethyl Hydrogen Phosphate
中文名称磷酸二甲酯
IUPAC名称dimethyl hydrogen phosphate
其它别名Methylphosphate ((CH3O)2(HO)PO) (6CI); DMP; Dimethyl hydrogen phosphate; Dimethylphosphate; O,O-Dimethyl hydrogen phosphate; O,O-Dimethyl phosphate
CAS编号813-78-5
MFCD编号:MFCD00014887
EINECS号:212-389-6
分子式:C2H7O4P
分子量:126.05
产品CID: 1807534
产品分类有机原料 → 无机酸酯

相似结构搜索
产品信息参考;
InChIKey: KKUKTXOBAWVSHC-UHFFFAOYSA-N
InChI=1S/C2H7O4P/c1-5-7(3,4)6-2/h1-2H3,(H,3,4)…
计算化学: 氢键受体数4.0氢键供体数1.0可旋转键数2.0

物理性质

沸点174 °C
闪点50.4 °C
密度1.323
pKa:1.24±0.50(预测)
PSA:65.57
LogP:0.3796
折射率1.408-1.41
蒸汽压1.28 mmHg at 25 °C
溶解性Chloroform (Slightly), Methanol (Slightly)
敏感性避免与不相容材料，湿空气，水接触。与强氧化剂反应。
外观形态透明无色至黄色或棕色液体
储存条件密封干燥,2-8°C

MSDS等安全信息

GHS象形图
GHS符号GHS07 & GHS05;
注释: Exclamation mark & Corrosion
危险类别急性毒性类别4(经皮)
急性毒性类别4(经口)
皮肤腐蚀类别1B
严重眼损伤类别1
皮肤致敏类别1
水生慢性毒性类别3
皮肤腐蚀类别1A
易燃液体类别3
警示词Danger(危险)
危险描述H312 |皮肤接触有害.
H302 |吞咽有害.
H314 |造成严重皮肤灼伤和眼损伤.
H318 |造成严重眼损伤.
H317 |可能引起皮肤过敏反应.
H412 |对水生生物有害并具有长期持续影响.
H226 |易燃液体和蒸气.
防范说明P261-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338
危险品标志Xi,C,T,F
安全声明37/39-26-45-36/37-16-61-36/37/39
危险类别码36/37/38-39/23/24/25-23/24/25-11-52/53-43-34-21/22

欧盟法规

ECHA物质ECHA物质C&L通报REACH预注册

上下游产品

trimethyl phosphite methanol tetramethyl pyrophosphate dimethyl sulfatetrimethyl phosphite (+/-)-methyl 2-(dimethoxyphosphinyl)-2-hydroxyacetate phosphoric acid benzyl dimethyl ester dimethyl ethylphosphonate

合成工艺路线路线简述

512-56-1 = 813-78-5
反应条件:1.1 Reagents: Potassium Bicarbonate Solvents: Acetonitrile-D3,Water; 24 H,50 °C
标题:A Water- And Base-Stable Iminopyridine-Based Cage That Can Bind Larger Organic Anions
作者:Zenka,Mattias; Et Al
参考文献:European Journal Of Inorganic Chemistry 日期:2023 卷标:26(15)]

813-77-4 = 813-78-5
反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Tetrahydrofuran,Water; 35 Min,0 °C
标题:Reactivity Of An Electrophilic Hypervalent Iodine Trifluoromethylation Reagent With Hydrogen Phosphates-A Mechanistic Study
作者:Santschi,Nico; Et Al
参考文献:Journal Of Fluorine Chemistry 日期:2012 卷标:135 页码:83-86]

= 813-78-5 [标题:Reaction Conditions
标题:Microbial Cleavage Of Various Organophosphorus Insecticides
作者:Rosenberg,Arthur; Et Al
参考文献:Applied And Environmental Microbiology 日期:1979 卷标:37(5) 页码:886-91]

4185-82-4 = 813-78-5
反应条件:1.1 Reagents: Water Solvents: Water
标题:Phosphoenol Pyruvamides. Amide-Phosphate Interactions In Analogs Of Phosphoenol Pyruvate
作者:Kluger,Ronald; Et Al
参考文献:Journal Of The American Chemical Society 日期:1984 卷标:106(14) 页码:4017-20]

= 813-78-5
反应条件:1.1 Reagents: Pyridine,Iodine Solvents: Water
标题:Nucleoside 3'-N,N-Dialkylphosphonamidates: Novel Building Blocks For Oligonucleotide Synthesis
作者:Wada,Takeshi; Et Al
参考文献:Tetrahedron Letters 日期:1990 卷标:31(44) 页码:6363-6]

91-66-7 + 10061-48-0 = 813-78-5 [标题:Reaction Conditions
标题:Monomeric Methyl Metaphosphate: Reactions With Carbonyl Groups
作者:Satterthwait,Arnold C.; Et Al
参考文献:Journal Of The American Chemical Society 日期:1980 卷标:102(13) 页码:4464-72]

512-56-1 = 813-78-5
反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; 3 - 4 H
标题:Preparation And Toxicity Of Some Alkyl Thiopyrophosphates
作者:Mcivor,R. A.; Et Al
参考文献:Canadian Journal Of Chemistry 日期:1956 卷标:34 页码:1819-32]

= 813-78-5
反应条件:1.1 Reagents: Triethylamine,Phosphorus Oxychloride Solvents: Dichloromethane; 0 °C; 2 H,0 °C -> Rt1.2 Reagents: Lithium Bromide Solvents: Acetonitrile; Overnight,Reflux1.3 Reagents: Amberlite Ir 120 Solvents: Methanol; 10 Min,Rt
标题:Tailoring The Specificity And Reactivity Of A Mechanism-Based Inactivator Of Glucocerebrosidase For Potential Therapeutic Applications
作者:Rempel,Brian P.; Et Al
参考文献:Angewandte Chemie 日期:2011 卷标:50(44) 页码:10381-10383]

813-77-4 = 813-78-5
反应条件:1.1 Solvents: Water; 1 H,> Rt
标题:A Redox Strategy For Light-Driven,Out-Of-Equilibrium Isomerizations And Application To Catalytic C-C Bond Cleavage Reactions
作者:Ota,Eisuke; Et Al
参考文献:Journal Of The American Chemical Society 日期:2019 卷标:141(4) 页码:1457-1462]

= 813-78-5 [标题:Reaction Conditions
标题:Oxidatively-Induced Formation Of Dialkyl Hydrogen Phosphonates From Phosphorothionates
作者:Wu,Shao Yong; Et Al
参考文献:Phosphorus 日期:1990 卷标:54(1-4) 页码:221-4]

= 813-78-5 [标题:Reaction Conditions
标题:Oxidatively-Induced Formation Of Dialkyl Hydrogen Phosphonates From Phosphorothionates
作者:Wu,Shao Yong; Et Al
参考文献:Phosphorus 日期:1990 卷标:54(1-4) 页码:221-4]

122-14-5 = 813-78-5
反应条件:1.1 Solvents: Methanol,Water
标题:Applications Of Thermospray Liquid Chromatography-Mass Spectrometry In Photochemical Studies Of Pesticides In Water
作者:Durand,G.; Et Al
参考文献:Journal Of Chromatography 日期:1991 卷标:554(1-2) 页码:233-50]

131674-07-2 = 813-78-5 [标题:Reaction Conditions
标题:Fragmentation Of Methyl Hydrogen α-Hydroxyiminophosphonates To Monomeric Methyl Metaphosphate: Stereochemistry And Mechanism
作者:Katzhendler,Jehoshua; Et Al
参考文献:Journal Of The Chemical Society 日期:1989 卷标:(6) 页码:589-94]

152-20-5 = 813-78-5
反应条件:1.1 Reagents: Trifluoromethanesulfonic Acid,Water Solvents: 1,2-Dimethoxyethane,Water
标题:Direct Evidence For Phosphorane Intermediates In The Hydrolysis Of 6-Ring And Acyclic Thiophosphate Esters
作者:Cullis,Paul M.; Et Al
参考文献:Tetrahedron Letters 日期:1988 卷标:29(17) 页码:2081-4]

17144-52-4 = 813-78-5
反应条件:1.1 Reagents: Uranium Oxide (Uo2)
标题:Effect Of Technological Factors On The Behavior Of Silicate Luminophors For Gas-Discharge Indicators In A High-Frequency Hydrogen Discharge
作者:Bukov,V. I.; Et Al
参考文献:Sb. Nauch. Tr. Vnii Lyuminoforov I Osobo Chist. Veshchestv 日期:1987 卷标:(33) 页码:76-88]

= 813-78-5 [标题:Reaction Conditions
标题:Study And Identification Of Fosbrom Degradation Products
作者:Kubiak,Zoja; Et Al
参考文献:Organika 日期:1978 卷标:91 页码:91-7]

= 813-78-5
反应条件:1.1 Reagents: Phosphoric Acid
标题:Photolysis Of Aryl Esters Of Tri- And Tetracoordinate Phosphorus Compounds
作者:Shi,Min; Et Al
参考文献:Phosphorus 日期:1991 卷标:60(1-2) 页码:1-14]

598-62-9 = 813-78-5
反应条件:1.1 Reagents: Uranium Oxide (Uo2)
标题:Kinetics Of Formation Of Zinc-Silicate-Based Luminophors For Gas-Discharge Indicators
作者:Manashirov,O. Ya.; Et Al
参考文献:Sb. Nauch. Tr. Vnii Lyuminoforov I Osobo Chist. Veshchestv 日期:1987 卷标:(33) 页码:71-6]

= 813-78-5
反应条件:1.1 Solvents: Water
标题:Identification Of Thermal Decomposition Products Of Dichlorvos By Gc/ftir And Gc/ms
作者:Guey,C. Robin; Et Al
参考文献:Analusis 日期:1991 卷标:19(10) 页码:359-62]

756-80-9 = 813-78-5 [标题:Reaction Conditions
标题:Degradation Of O,O-Dimethyl Phosphorodithioate By Thiobacillus Thioparus Tk-1 And Pseudomonas Ak-2
作者:Kanagawa,Takahiro; Et Al
参考文献:Kenkyu Hokoku - Kogyo Gijutsuin Biseibutsu Kogyo Gijutsu Kenkyusho 日期:1983 卷标:(60) 页码:35-45]

= 813-78-5
反应条件:1.1 Reagents: Methanol Solvents: Dichloromethane
标题:Mercury Trifluoroacetate-Catalyzed Conversion Of Se-Alkyl Phosphoroselenolates Into The Corresponding Phosphates
作者:Wozniak,Lucyna A.
参考文献:Journal Of Organometallic Chemistry 日期:2004 卷标:689(17) 页码:2745-2751]

= 813-78-5 [标题:Reaction Conditions
标题:Bisphosphonate Prodrugs: Synthesis And Biological Evaluation In Huh7 Hepatocarcinoma Cells
作者:Monteil,Maelle; Et Al
参考文献:European Journal Of Medicinal Chemistry 日期:2014 卷标:77 页码:56-64]

= 813-78-5
反应条件:1.1 Catalysts: Cerium Hydroxide (Ce(Oh)4),(T-4)- Solvents: Water; 30 Min,Ph 10,Rt
标题:Metal Hydroxide/polymer Textiles For Decontamination Of Toxic Organophosphates: An Extensive Study Of Wettability,Catalytic Activity,And The Effects Of Aggregation
作者:Dwyer,Derek B.; Et Al
参考文献:Acs Applied Materials & Interfaces 日期:2019 卷标:11(34) 页码:31378-31385

敌敌畏置于hydroxide体系中,22.84 °C,101.0 Kpa 条件下,反应生成磷酸二甲酯
参考文献:敌敌畏,西维因,杀虫脒和 2,4-D 丁酯与 Oh 自由基的气相反应
标题:敌敌畏,西维因,杀虫脒和 2,4-D 丁酯与 Oh 自由基的气相反应
摘要:农药的广泛使用引起了严重的环境问题.为了评估大气中有机农药的归宿,在环境温度和 101 Kpa 条件下,使用相对速率法测量了 Oh 自由基与敌敌畏,西维因,杀虫脒和 2,4-D 丁酯的气相反应速率常数总压力.在线 Ftir 光谱用于监测农药浓度随时间的变化.与 Oh 自由基的反应速率常数(以 Cm3 分子-1 S-1 为单位)已确定为敌敌畏的 (2.0 +/-0.4) x 10-11,西维因 (3.3 +/-0.5) x 10-11,(3.0 +/-0.7) x 10−10 用于杀虫脒,(1.5 +/-0.2) x 10−11 用于 2,4-D 丁酯.这些速率常数与基于结构-活性关系估计的那些非常吻合.nc 组的组速率常数 (K(Nc)) 估计为 2.7 x 10-10 Cm3 分子-1 S-1.亚磷酸二甲酯已初步确定为敌敌畏与 Oh 自由基反应的产物.还估计了与 Oh 自由基反应导致的大气寿命(以
DOI:10.1002/kin.20129