Cas no 17158-87-1 (bis(2-methylpropyl) phosphorochloridate)
17158-87-1 structure
Product Name:bis(2-methylpropyl) phosphorochloridate
CAS No:17158-87-1
MF:C8H18ClO3P
MW:228.653482913971
CID:1359507
PubChem ID:190219
Update Time:2025-04-20
bis(2-methylpropyl) phosphorochloridate Chemical and Physical Properties
Names and Identifiers
-
- bis(2-methylpropyl) phosphorochloridate
- 1-(chloro-(2-methylpropoxy)phosphoryl)oxy-2-methyl-propane
- ASVKMXAZUSSGQJ-UHFFFAOYSA-N
- (Chlorodiisobutoxy)phospine oxide
- AKOS025296248
- Phosphorochloridic acid, diisobutyl ester
- diisobutyl phosphorochloridate
- 17158-87-1
- 1-[chloro(2-methylpropoxy)phosphoryl]oxy-2-methylpropane
- SCHEMBL6866305
- DTXSID30938004
- diisobutyl chlorophosphate
-
- Inchi： 1S/C8H18ClO3P/c1-7(2)5-11-13(9,10)12-6-8(3)4/h7-8H,5-6H2,1-4H3
- InChI Key： ASVKMXAZUSSGQJ-UHFFFAOYSA-N
- SMILES： ClP(=O)(OCC(C)C)OCC(C)C
Computed Properties
- Exact Mass: 228.06834
- Monoisotopic Mass: 228.0682091g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 166
- 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: 2.9
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
bis(2-methylpropyl) phosphorochloridate Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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