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磷酸二苯酯 | 838-85-7

磷酸二苯酯
Diphenyl Phosphate
838-85-7
C12H11O4P
250.187104463577
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:磷酸二苯酯结构式
24888299
磷酸二苯酯价格
简介
磷酸二苯酯是一种化学物质,分子式是C12H11O4P。
名称和标识符
MDL MFCD00003033
InChIKey ASMQGLCHMVWBQR-UHFFFAOYSA-N
Inchi 1S/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14)
SMILES O=P(OC1C=CC=CC=1)(OC1C=CC=CC=1)O
BRN 1379164
别名信息
- 中文别名 -
  • 磷酸二苯酯
  • Diphenyl Phosphate 磷酸二苯酯
  • 磷酸双苯基酯
- 英文别名 -
  • Diphenyl hydrogen phosphate
  • Diphenyl Phosphate
  • 5-Bromo-2-methoxy-3-nitropyridine
  • (PhO)2P(O)OH
  • Biphenyl Ester
  • diphenylphosphoric acid
  • Phenol hydrogen phosphate
  • phenylphosphate((pho)2(ho)po)
  • Phosphoric acid diphenyl
  • PHOSPHORIC ACID DIPHENYL ESTER
  • Phosphoric Acid Diphenyl Ester
  • Diphenyl phosphate
  • NSC 6518
  • Phenyl phosphate ((PhO)2(HO)PO)
  • Phenyl phosphate, ((PhO)2(HO)PO)
  • Phenyl phosphate, ((PhO)2(HO)PO)
  • NCGC00257429-01
  • NCGC00257429-01
  • FT-0625225
  • FT-0625225
  • Phenyl hydrogen phosphate
  • Phenyl hydrogen phosphate
  • DTXSID1048207
  • DTXSID1048207
  • Phosphoric acid diphenyl ester
  • Phosphoric acid diphenyl ester
  • InChI=1/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14)
  • InChI=1/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14)
  • W-104131
  • W-104131
  • P0801
  • P0801
  • CHEMBL3186576
  • CHEMBL3186576
  • CHEBI:166468
  • CHEBI:166468
  • NSC289392
  • NSC289392
  • AC9048
  • AC9048
  • AS-17707
  • AS-17707
  • SY037021
  • SY037021
  • ASMQGLCHMVWBQR-UHFFFAOYSA-
  • ASMQGLCHMVWBQR-UHFFFAOYSA-
  • Diphenyl phosphate, 99%
  • Diphenyl phosphate, 99%
  • diphenylphosphate
  • diphenylphosphate
  • Tox21_303401
  • Tox21_303401
  • BDBM50603864
  • BDBM50603864
  • SCHEMBL37038
  • SCHEMBL37038
  • AKOS003625996
  • AKOS003625996
  • MFCD00003033
  • MFCD00003033
  • NS00014401
  • NS00014401
  • CS-W008151
  • CS-W008151
  • 838-85-7
  • 838-85-7
  • 53396-64-8
  • 53396-64-8
  • Phosphoric acid, diphenyl ester
  • Phosphoric acid, diphenyl ester
  • NSC-289392
  • NSC-289392
  • HY-W008151
  • HY-W008151
  • 4-06-00-00714 (Beilstein Handbook Reference)
  • 4-06-00-00714 (Beilstein Handbook Reference)
  • BRN 1379164
  • BRN 1379164
  • NSC-6518
  • NSC-6518
  • NSC6518
  • NSC6518
  • DTXCID3028182
  • DTXCID3028182
  • DIPHENYL PHOSPHATE
  • DIPHENYL PHOSPHATE
  • CAS-838-85-7
  • CAS-838-85-7
  • PR9H42V2X6
  • PR9H42V2X6
  • diphenoxyphosphinic acid
  • diphenoxyphosphinic acid
  • EINECS 212-657-2
  • EINECS 212-657-2
  • Q63391915
  • ?Diphenyl phosphate
  • Q63391915
  • ?Diphenyl phosphate
物化性质
实验特性
LogP 3.24480
PSA 65.57000
折射率 1.6250
水溶性 Soluble in benzene. Insoluble in water.
沸点 377.7°C at 760 mmHg
熔点 67.0 to 71.0 deg-C
闪点 4°C
颜色与性状 白色粉末
溶解性 未确定
敏感性 对湿度敏感
密度 0,76 g/cm3
计算特性
精确分子量 250.03900
氢键供体数量 1
氢键受体数量 4
可旋转化学键数量 4
同位素质量 250.039495
重原子数量 17
复杂度 246
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) 1.4
拓扑分子极性表面积 55.8
国际标准相关数据
EINECS 212-657-2
海关数据
海关编码 29190090
海关数据

中国海关编码:

2919900090

概述:

HS:2919900090 其他磷酸酯及其盐(包括乳磷酸盐)(包括它们的卤化,磺化,硝化和亚硝化衍生物) 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 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:

A.入境货物通关单
B.出境货物通关单

检验检疫类别:

R.进口食品卫生监督检验
S.出口食品卫生监督检验
M.进口商品检验
N.出口商品检验

Summary:

2919900090 other phosphoric esters and their salts, including lactophosphates; their halogenated, sulphonated, nitrated or nitrosated derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。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

反应条件:
参考文献:
o-Phthalaldehyde catalyzed hydrolysis of organophosphinic amides and other P(:O)-NH containing compounds
Li, Bin-Jie; et al, Chemical Communications (Cambridge, 2017, 53(62), 8667-8670

合成路线:1 步

反应条件:
参考文献:
o-Phthalaldehyde catalyzed hydrolysis of organophosphinic amides and other P(:O)-NH containing compounds
Li, Bin-Jie; et al, Chemical Communications (Cambridge, 2017, 53(62), 8667-8670

合成路线:1 步

反应条件:
参考文献:
Synthesis of diaryl phosphates using orthophosphoric acid as a phosphorus source
Tran, Cong Chi; et al, Tetrahedron Letters, 2022, 96,

合成路线:1 步

反应条件:
参考文献:
o-Phthalaldehyde catalyzed hydrolysis of organophosphinic amides and other P(:O)-NH containing compounds
Li, Bin-Jie; et al, Chemical Communications (Cambridge, 2017, 53(62), 8667-8670

合成路线:1 步

反应条件:
参考文献:
Syntheses, crystal structures and magnetic properties of Mn12 single-molecule magnets with diphenylphosphate and their tetraphenylphosphonium salts
Kuroda-Sowa, Takayoshi; et al, Polyhedron, 2005, 24(16-17), 2680-2690

合成路线:1 步

反应条件:
参考文献:
o-Phthalaldehyde catalyzed hydrolysis of organophosphinic amides and other P(:O)-NH containing compounds
Li, Bin-Jie; et al, Chemical Communications (Cambridge, 2017, 53(62), 8667-8670

合成路线:1 步

反应条件:
参考文献:
Novel photolabile protecting group for phosphate compounds
Zhang, Youlai; et al, Synlett, 2012, 23(3), 367-370

合成路线:1 步

反应条件:
参考文献:
Reactivity of o-[(dimethylamino)methyl]phenol in reaction with p-nitrophenyl esters of phosphorus acids. Effect of copper(II) ions
Ryzhkina, I. S.; et al, Zhurnal Obshchei Khimii, 1990, 60(4), 820-7

合成路线:1 步

反应条件:
参考文献:
Amide as a protecting group in phosphate ester synthesis
Hopwood, W. J.; et al, Proceedings of the Chemical Society, 1964, 394,

合成路线:1 步

参考文献:
Carboxylic and phosphate ester hydrolysis catalyzed by bivalent zinc and copper metallosurfactants
Weijnen, John G. J.; et al, Journal of the Chemical Society, 1991, (8), 1121-6

合成路线:1 步

反应条件:
参考文献:
o-Phthalaldehyde catalyzed hydrolysis of organophosphinic amides and other P(:O)-NH containing compounds
Li, Bin-Jie; et al, Chemical Communications (Cambridge, 2017, 53(62), 8667-8670

合成路线:1 步

反应条件:
参考文献:
1,4-Naphthoquinone Derivative as Efficient Photolabile Molecule: Concise Synthesis and Photorelease of Various Functional Compounds
Liu, HaiYing; et al, Synthesis, 2023, 55(1), 150-158

合成路线:1 步

反应条件:
参考文献:
Hydrolysis of Organophosphate Esters: Phosphotriesterase Activity of Metallo-β-lactamase and Its Functional Mimics
Tamilselvi, A.; et al, Chemistry - A European Journal, 2010, 16(29), 8878-8886

合成路线:1 步

反应条件:
参考文献:
o-Phthalaldehyde catalyzed hydrolysis of organophosphinic amides and other P(:O)-NH containing compounds
Li, Bin-Jie; et al, Chemical Communications (Cambridge, 2017, 53(62), 8667-8670

合成路线:1 步

反应条件:
参考文献:
o-Phthalaldehyde catalyzed hydrolysis of organophosphinic amides and other P(:O)-NH containing compounds
Li, Bin-Jie; et al, Chemical Communications (Cambridge, 2017, 53(62), 8667-8670

合成路线:1 步

反应条件:
参考文献:
Feedstocks to Pharmacophores: Cu-Catalyzed Oxidative Arylation of Inexpensive Alkylarenes Enabling Direct Access to Diarylalkanes
Vasilopoulos, Aristidis; et al, Journal of the American Chemical Society, 2017, 139(23), 7705-7708

合成路线:1 步

反应条件:
参考文献:
o-Phthalaldehyde catalyzed hydrolysis of organophosphinic amides and other P(:O)-NH containing compounds
Li, Bin-Jie; et al, Chemical Communications (Cambridge, 2017, 53(62), 8667-8670

合成路线:1 步

反应条件:
参考文献:
o-Phthalaldehyde catalyzed hydrolysis of organophosphinic amides and other P(:O)-NH containing compounds
Li, Bin-Jie; et al, Chemical Communications (Cambridge, 2017, 53(62), 8667-8670

合成路线:1 步

反应条件:
参考文献:
o-Phthalaldehyde catalyzed hydrolysis of organophosphinic amides and other P(:O)-NH containing compounds
Li, Bin-Jie; et al, Chemical Communications (Cambridge, 2017, 53(62), 8667-8670

合成路线:1 步

反应条件:
参考文献:
Amide as a protecting group in phosphate ester synthesis. I. The acid hydrolysis of some phosphoramidic diesters
Stock, J. A.; et al, Journal of the Chemical Society [Section] C: Organic, 1966, (6), 637-9

合成路线:1 步

反应条件:
参考文献:
Phosphorus in organic chemistry; I. Mild and convenient reagents for the preparation of symmetrical carboxylic acid anhydrides
Mestres, Ramon; et al, Synthesis, 1981, (3), 218-20

合成路线:1 步

反应条件:
参考文献:
Neodymium tris-diarylphosphates: Systematic study of the structure-reactivity relationship in butadiene and isoprene polymerisation
Nifant'ev, Ilya E.; et al, Applied Catalysis, 2014, 478, 219-227

合成路线:1 步

反应条件:
参考文献:
o-Phthalaldehyde catalyzed hydrolysis of organophosphinic amides and other P(:O)-NH containing compounds
Li, Bin-Jie; et al, Chemical Communications (Cambridge, 2017, 53(62), 8667-8670
相关文献
  • 1. Mechanism of the solvolysis of allylic diphenyl phosphates in phenol
    J. A. Miller J. Chem. Soc. B 1968 1427
  • 2. Metallic organophosphate catalyzed bulk ring-opening polymerization
    Siming Chen,Haixin Wang,Zhenjiang Li,Fulan Wei,Hui Zhu,Songquan Xu,Jiaxi Xu,Jingjing Liu,Hailemariam Gebru,Kai Guo Polym. Chem. 2018 9 732
  • 3. Phosphate esters. Part I. The synthesis of phenolic isoprenoids from allylic phosphates
    J. A. Miller,H. C. S. Wood J. Chem. Soc. C 1968 1837
  • 4. 223. Studies on phosphorylation. Part X. The preparation of tetraesters of pyrophosphoric acid from diesters of phosphoric acid by means of exchange reactions
    N. S. Corby,G. W. Kenner,A. R. Todd J. Chem. Soc. 1952 1234
  • 5. Amide as a protecting group in phosphate ester synthesis. Part II. A non-hydrolytic conversion of phosphoramidates into phosphates
    P. D. Regan,J. A. Stock,W. J. Hopwood J. Chem. Soc. C 1966 640
  • 6. 260. Synthesis of some phosphorylated amino-hydroxy-acids and derived peptides related to the phosphoproteins
    G. Riley,J. H. Turnbull,W. Wilson J. Chem. Soc. 1957 1373
  • 7. 873. Studies on phosphorylation. Part XXI. Keten imides as reagents in pyrophosphate synthesis
    R. J. Cremlyn,G. W. Kenner,Alexander Todd J. Chem. Soc. 1960 4511
  • 8. 500. Studies on phosphorylation. Part VIII. The production of tetrabenzyl pyrophosphate by the action of acyl chlorides on dibenzyl hydrogen phosphate, and a novel reaction of tetraphenyl pyrophosphate
    H. S. Mason,A. R. Todd J. Chem. Soc. 1951 2267
  • 9. Phosphate esters. Part II. The formation of monoterpene hydrocarbons from geranyl and neryl diphenyl phosphates
    R. C. Haley,J. A. Miller,H. C. S. Wood J. Chem. Soc. C 1969 264
  • 10. 682. Studies on phosphorylation. Part XIV. The solvolysis by phenols of benzyl phosphates
    G. W. Kenner,J. Mather J. Chem. Soc. 1956 3524
专业数据库参考
PubChemId 24888299
参考资料
Reaxys RN 1379164
Beilstein 6,178
化合物详情(旧版)

SMILES

OP(OC1=CC=CC=C1)(=O)OC2=CC=CC=C2

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