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甲基磷酸二甲酯 | 813-78-5

甲基磷酸二甲酯结构式图片|813-78-5结构式图片
甲基磷酸二甲酯
Dimethyl Phosphate
813-78-5
C2H7O4P
126.048341989517
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:甲基磷酸二甲酯结构式
13134
甲基磷酸二甲酯价格
名称和标识符
MDL MFCD00014887
InChIKey KKUKTXOBAWVSHC-UHFFFAOYSA-N
Inchi 1S/C2H7O4P/c1-5-7(3,4)6-2/h1-2H3,(H,3,4)
SMILES O=P(OC)(OC)O
别名信息
- 中文别名 -
  • 甲基磷酸二甲酯
  • 二甲基-乙烯基磷酸酯
  • 磷酸二甲酯
- 英文别名 -
  • Dimethyl hydrogen phosphate
  • Dimethyl Phosphate
  • O,Dimethylhydrogenphosphate
  • Methyl phosphate
  • NSC 2676
  • O,O-Dimethyl hydrogen phosphate
  • O,O-Dimethyl phosphate
  • Methyl phosphate ((MeO)2(HO)PO)
  • 4-01-00-01259 (Beilstein Handbook Reference)
  • Phosphoric acid dimethyl ester
  • KFG
  • Q2823255
  • Dimethylphosphate
  • NSC-2676
  • SCHEMBL47754
  • CS-0164327
  • dimethoxyphosphinic acid
  • Dimethylphosphate
  • Phosphoric acid, dimethyl ester
  • NCGC00255372-01
  • BRN 1702242
  • Dimethylhydrogenphosphate
  • AI3-15058
  • NSC2676
  • DTXSID5025150
  • 7-chloro-6-methylimidazo[1,2-a]pyrimidin-5(1H)-one
  • Phosphoric acid, dimethyl ester
  • HI4K2C9UEI
  • 53396-59-1
  • EINECS 212-389-6
  • dimethyl phosphate, AldrichCPR
  • Tox21_301411
  • DTXCID205150
  • UNII-HI4K2C9UEI
  • dimethyl phosphoric acid
  • NSC-289396
  • BP-21444
  • CAS-813-78-5
  • AKOS015965163
  • 813-78-5
  • NS00014956
  • DIMETHYL PHOSPHATE
  • CHEBI:166474
  • Dimethyl Phosphate (Olaparib Impurity)
  • MFCD00014887
  • NSC289396
  • Dimethyl phosphate
  • Methyl phosphate ((CH3O)2(HO)PO) (6CI)
  • DMP
物化性质
实验特性
LogP 0.37960
PSA 65.57000
折射率 1.408-1.41
沸点 160 ºC
闪点 50 ºC
颜色与性状 无色或黄棕色透明液体
溶解性 溶于水、碱性溶液、乙醇、氯仿,不溶于苯、醚和石油醚。
密度 1.314
计算特性
精确分子量 126.00800
氢键供体数量 1
氢键受体数量 4
可旋转化学键数量 2
同位素质量 126.008
重原子数量 7
复杂度 81.7
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP)
互变异构体数量
表面电荷 0
拓扑分子极性表面积 55.8A^2
国际标准相关数据
EINECS 212-389-6
海关数据
海关编码 2930909027
海关数据

中国海关编码:

2930909027

概述:

2930909027 含一磷原子与甲乙丙基结合化合物(不包括地虫磷)。监管条件:23(两用物项和技术进口许可证,两用物项和技术出口许可证)。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%

申报要素:

品名, 成分含量, 用途

监管条件:

2.两用物项和技术进口许可证
3.两用物项和技术出口许可证

Summary:

2930909027 。supervision conditions:23(import license for dual-use item and technologies,export license for dual-use item and technologies)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%

合成路线

合成路线:1 步

参考文献:
Study and identification of fosbrom degradation products
Kubiak, Zoja; et al, Organika, 1978, 91, 91-7

合成路线:1 步

反应条件:
参考文献:
A Water- and Base-Stable Iminopyridine-Based Cage That Can Bind Larger Organic Anions
Zenka, Mattias; et al, European Journal of Inorganic Chemistry, 2023, 26(15),

合成路线:1 步

反应条件:
参考文献:
Tailoring the Specificity and Reactivity of a Mechanism-Based Inactivator of Glucocerebrosidase for Potential Therapeutic Applications
Rempel, Brian P.; et al, Angewandte Chemie, 2011, 50(44), 10381-10383

合成路线:1 步

参考文献:
Oxidatively-induced formation of dialkyl hydrogen phosphonates from phosphorothionates
Wu, Shao Yong; et al, Phosphorus, 1990, 54(1-4), 221-4

合成路线:1 步

反应条件:
参考文献:
Photolysis of aryl esters of tri- and tetracoordinate phosphorus compounds
Shi, Min; et al, Phosphorus, 1991, 60(1-2), 1-14

合成路线:1 步

参考文献:
Monomeric methyl metaphosphate: reactions with carbonyl groups
Satterthwait, Arnold C.; et al, Journal of the American Chemical Society, 1980, 102(13), 4464-72

合成路线:1 步

参考文献:
Microbial cleavage of various organophosphorus insecticides
Rosenberg, Arthur; et al, Applied and Environmental Microbiology, 1979, 37(5), 886-91

合成路线:1 步

反应条件:
参考文献:
Phosphoenol pyruvamides. Amide-phosphate interactions in analogs of phosphoenol pyruvate
Kluger, Ronald; et al, Journal of the American Chemical Society, 1984, 106(14), 4017-20

合成路线:1 步

参考文献:
Bisphosphonate prodrugs: Synthesis and biological evaluation in HuH7 hepatocarcinoma cells
Monteil, Maelle; et al, European Journal of Medicinal Chemistry, 2014, 77, 56-64

合成路线:1 步

反应条件:
参考文献:
Effect of technological factors on the behavior of silicate luminophors for gas-discharge indicators in a high-frequency hydrogen discharge
Bukov, V. I.; et al, Sb. Nauch. Tr. VNII Lyuminoforov i Osobo Chist. Veshchestv, 1987, (33), 76-88

合成路线:1 步

参考文献:
Fragmentation of methyl hydrogen α-hydroxyiminophosphonates to monomeric methyl metaphosphate: stereochemistry and mechanism
Katzhendler, Jehoshua; et al, Journal of the Chemical Society, 1989, (6), 589-94

合成路线:1 步

参考文献:
Oxidatively-induced formation of dialkyl hydrogen phosphonates from phosphorothionates
Wu, Shao Yong; et al, Phosphorus, 1990, 54(1-4), 221-4

合成路线:1 步

反应条件:
参考文献:
Identification of thermal decomposition products of dichlorvos by GC/FTIR and GC/MS
Guey, C. Robin; et al, Analusis, 1991, 19(10), 359-62

合成路线:1 步

反应条件:
参考文献:
Metal Hydroxide/Polymer Textiles for Decontamination of Toxic Organophosphates: An Extensive Study of Wettability, Catalytic Activity, and the Effects of Aggregation
Dwyer, Derek B. ; et al, ACS Applied Materials & Interfaces, 2019, 11(34), 31378-31385

合成路线:1 步

反应条件:
参考文献:
Kinetics of formation of zinc-silicate-based luminophors for gas-discharge indicators
Manashirov, O. Ya.; et al, Sb. Nauch. Tr. VNII Lyuminoforov i Osobo Chist. Veshchestv, 1987, (33), 71-6

合成路线:1 步

反应条件:
参考文献:
Applications of thermospray liquid chromatography-mass spectrometry in photochemical studies of pesticides in water
Durand, G.; et al, Journal of Chromatography, 1991, 554(1-2), 233-50

合成路线:1 步

参考文献:
Degradation of O,O-dimethyl phosphorodithioate by Thiobacillus thioparus TK-1 and Pseudomonas AK-2
Kanagawa, Takahiro; et al, Kenkyu Hokoku - Kogyo Gijutsuin Biseibutsu Kogyo Gijutsu Kenkyusho, 1983, (60), 35-45

合成路线:1 步

反应条件:
参考文献:
Mercury trifluoroacetate-catalyzed conversion of Se-alkyl phosphoroselenolates into the corresponding phosphates
Wozniak, Lucyna A., Journal of Organometallic Chemistry, 2004, 689(17), 2745-2751

合成路线:1 步

反应条件:
参考文献:
Preparation and toxicity of some alkyl thiopyrophosphates
McIvor, R. A.; et al, Canadian Journal of Chemistry, 1956, 34, 1819-32

合成路线:1 步

反应条件:
参考文献:
Direct evidence for phosphorane intermediates in the hydrolysis of 6-ring and acyclic thiophosphate esters
Cullis, Paul M.; et al, Tetrahedron Letters, 1988, 29(17), 2081-4

合成路线:1 步

反应条件:
参考文献:
A Redox Strategy for Light-Driven, Out-of-Equilibrium Isomerizations and Application to Catalytic C-C Bond Cleavage Reactions
Ota, Eisuke; et al, Journal of the American Chemical Society, 2019, 141(4), 1457-1462

合成路线:1 步

反应条件:
参考文献:
Reactivity of an electrophilic hypervalent iodine trifluoromethylation reagent with hydrogen phosphates-A mechanistic study
Santschi, Nico; et al, Journal of Fluorine Chemistry, 2012, 135, 83-86

合成路线:1 步

反应条件:
参考文献:
Nucleoside 3'-N,N-dialkylphosphonamidates: novel building blocks for oligonucleotide synthesis
Wada, Takeshi; et al, Tetrahedron Letters, 1990, 31(44), 6363-6
相关文献
专业数据库参考
PubChemId 13134
化合物详情(旧版)

SMILES

COP(=O)(O)OC

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