Cas no 1085-24-1 (Phosphoric acid,dimethyl 4-nitro-2-methylphenyl ester (9CI))
1085-24-1 structure
Product Name:Phosphoric acid,dimethyl 4-nitro-2-methylphenyl ester (9CI)
CAS No:1085-24-1
MF:C9H12NO6P
MW:261.16844367981
CID:168703
PubChem ID:121000
Update Time:2025-04-19
Phosphoric acid,dimethyl 4-nitro-2-methylphenyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- Phosphoric acid,dimethyl 4-nitro-2-methylphenyl ester (9CI)
- Phosphoricacid, dimethyl 4-nitro-o-tolyl ester (7CI,8CI)
- dimethyl 2-methyl-4-nitrophenyl phosphate
- BRN 2145422
- Phosphoric acid, dimethyl 4-nitro-2-methylphenyl ester
- Dimethyl 4-nitro-2-methylphenyl phosphate
- 1085-24-1
- DTXSID00910751
-
- Inchi： 1S/C9H12NO6P/c1-7-6-8(10(11)12)4-5-9(7)16-17(13,14-2)15-3/h4-6H,1-3H3
- InChI Key： ZVUYQNPSXYOERO-UHFFFAOYSA-N
- SMILES： P(=O)(OC)(OC)OC1C=CC(=CC=1C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 261.04026
- Monoisotopic Mass: 261.04022410g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 309
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 90.6?2
Experimental Properties
- PSA: 87.9
Phosphoric acid,dimethyl 4-nitro-2-methylphenyl ester (9CI) Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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