Name: Name:Diethyl 3-nitrobenzylphosphonate
Brand: AABLOCKS
SKU: AA003PD0
Rating: 90 (10 reviews)

Catalog No.: AA003PD0

104097-04-3 | Diethyl 3-nitrobenzylphosphonate

Pack Size： 1g

Purity： 95+%

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Technical Information

Catalog Number: AA003PD0

Chemical Name: Diethyl 3-nitrobenzylphosphonate

CAS Number: 104097-04-3

Molecular Formula: C11H16NO5P

Molecular Weight: 273.2222

MDL Number: MFCD22574984

SMILES: CCOP(=O)(Cc1cccc(c1)[N+](=O)[O-])OCC

Properties

Form: Solid

Storage: Keep in dry area;Room Temperature;

Complexity: 307

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 18

Hydrogen Bond Acceptor Count: 5

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 6

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 1.5

Downstream Synthesis Route

3958-57-4

122-52-1

104097-04-3

[1]MedChemComm,2013,vol.4,p.932-941

[2]Patent:WO2014/70859,2014,A1.Locationinpatent:Page/Pagecolumn65;67

[3]Patent:WO2013/42139,2013,A1.Locationinpatent:Page/Pagecolumn141

[4]Patent:US2015/65464,2015,A1.Locationinpatent:Paragraph0454-0455

[5]JournalofMedicinalChemistry,2008,vol.51,p.2887-2890

[6]JournaloftheChemicalSociety.PerkintransactionsII,1973,p.25-33

[7]JournaloftheChemicalSociety.Chemicalcommunications,1986,p.1516-1517

[8]BulletinoftheChemicalSocietyofJapan,1987,vol.60,p.277-282

[9]Patent:WO2004/52847,2004,A2.Locationinpatent:Pagecolumn222

[10]Patent:WO2010/110907,2010,A1.Locationinpatent:Page/Pagecolumn51-52

[11]Patent:WO2011/51282,2011,A1.Locationinpatent:Page/Pagecolumn75

[12]PhotochemistryandPhotobiology,2015,vol.91,p.1324-1331

[13]DyesandPigments,2017,vol.142,p.507-515

104097-04-3

40299-58-9

[1]JournaloftheChemicalSociety.PerkintransactionsII,1973,p.25-33

[2]BulletinoftheChemicalSocietyofJapan,1987,vol.60,p.277-282

20432-35-3

104097-04-3

p-(N,N-dimethylamino)-m'-nitro-1,4-diphenyl-buta-1(E),3(E)-diene

[1]PhotochemistryandPhotobiology,2000,vol.71,p.387-396

619-25-0

104097-04-3

[1]JournaloftheChemicalSociety.PerkintransactionsII,1973,p.25-33

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