Cas no 58264-04-3 (Diisopropyl cyanomethylphosphonate)
58264-04-3 structure
Product Name:Diisopropyl cyanomethylphosphonate
CAS No:58264-04-3
MF:C8H16NO3P
MW:205.191303253174
CID:377191
PubChem ID:88997
Update Time:2025-04-19
Diisopropyl cyanomethylphosphonate Chemical and Physical Properties
Names and Identifiers
-
- Diisopropyl cyanomethylphosphonate
- DIISOPROPYL CYANOMETHYLPHOSPHONATE, 97
- Phosphonic acid,methyl-, 1-cyano-1-methylethyl 1-methylethyl ester (9CI)
- 2-DIPROPAN-2-YLOXYPHOSPHORYLACETONITRILE
- Isopropyl-1-cyano-1-methylethyl-methylphosphonat
- CS-0361274
- DTXSID50176042
- MFCD00009812
- 2-Diisopropoxyphosphorylacetonitrile
- FT-0624137
- WAA65895
- SCHEMBL3776800
- AS-62970
- 58264-04-3
- 21658-95-7
- XK5YRB8PTC
- J-014213
- Bis(1-methylethyl) P-(cyanomethyl)phosphonate
- bis(propan-2-yl) (cyanomethyl)phosphonate
- Diisopropyl (cyanomethyl)phosphonate
- NS00026933
- AKOS015916209
- Cyanomethylphosphonic acid diisopropyl ester
- MQDIIJHQSUNBKA-UHFFFAOYSA-N
- EINECS 244-511-9
- Phosphonic acid, P-(cyanomethyl)-, bis(1-methylethyl) ester
- 2-di(propan-2-yloxy)phosphorylacetonitrile
- UNII-XK5YRB8PTC
-
- Inchi： 1S/C8H16NO3P/c1-7(2)11-13(10,6-5-9)12-8(3)4/h7-8H,6H2,1-4H3
- InChI Key： MQDIIJHQSUNBKA-UHFFFAOYSA-N
- SMILES： P(CC#N)(=O)(OC(C)C)OC(C)C
Computed Properties
- Exact Mass: 237.07700
- Monoisotopic Mass: 205.08678037g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 227
- 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
- Surface Charge: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 59.3
Experimental Properties
- Color/Form: Not determined
- Density: 1,039 g/cm3
- Boiling Point: 108-110°C 0,08mm
- Flash Point: >110°C
- PSA: 87.59000
- LogP: 2.41628
Diisopropyl cyanomethylphosphonate Security Information
- Hazardous Material transportation number：UN 2927
- Hazard Category Code： 26/27/28-34
- Safety Instruction： S26; S36/37/39; S45
- HazardClass：6.1(a)
- PackingGroup：II
- Risk Phrases：R26/27/28; R34
- Packing Group：II
- Safety Term：6.1(a)
- Packing Group：II
- Hazard Level：6.1(a)
Diisopropyl cyanomethylphosphonate Related Literature
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
-
3. Agricultural
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
58264-04-3 (Diisopropyl cyanomethylphosphonate) Related Products
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