Name: Name:1,1,1-Tris(2-cyanoethyl)nitromethane
Brand: AABLOCKS
SKU: AA001E3U
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA001E3U

Chemical Name: 1,1,1-Tris(2-cyanoethyl)nitromethane

CAS Number: 1466-48-4

Molecular Formula: C10H12N4O2

Molecular Weight: 220.2279

MDL Number: MFCD00013830

SMILES: N#CCCC([N+](=O)[O-])(CCC#N)CCC#N

NSC Number: 680512

Properties

Form: Solid

MP: 111-113 °C(lit.)

Storage: Keep in dry area;Room Temperature;

Complexity: 333

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 16

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: 0

Downstream Synthesis Route

1466-48-4

59085-15-3

[1]Newkome,GeorgeR.;Moorefield,CharlesN.;Theriot,KevinJ.[JournalofOrganicChemistry,1988,vol.53,#23,p.5552-5554]

[2]Leonard;Shoemaker[JournaloftheAmericanChemicalSociety,1949,vol.71,p.1761]

75-52-5

107-13-1

1466-48-4

[1]Newkome,GeorgeR.;Moorefield,CharlesN.;Theriot,KevinJ.[JournalofOrganicChemistry,1988,vol.53,#23,p.5552-5554]

[2]Zubarev;Gurskaya;Zavodnik;Ostrovskii[ChemistryofHeterocyclicCompounds,1997,vol.33,#11,p.1292-1298]

[3]Schaapkens,Xander;vanSluis,RoyN.;Bobylev,EduardO.;Reek,JoostN.H.;Mooibroek,TiddoJ.[Chemistry-AEuropeanJournal,2021,vol.27,#55,p.13719-13724]

[4]Bruson;Riener[JournaloftheAmericanChemicalSociety,1943,vol.65,p.26]

[5]Schmidle;Mansfield[IndustrialandEngineeringChemistry,1952,vol.44,p.1388]Mastaglietal.[BulletindelaSocieteChimiquedeFrance,1957,p.1108]

[6]Patterson,J.M.;Barnes,M.W.[BulletinoftheChemicalSocietyofJapan,1967,vol.40,p.2715-2716]

[7]Hahn,F.Ekkehardt;Tamm,Matthias[AngewandteChemie,1992,vol.104,#9,p.1218-1221]

[8]Zubarev;Ostrovskii[ChemistryofHeterocyclicCompounds,1996,vol.32,#8,p.980-981]

[9]Zhang,Ming-Xia;Zhu,Chun-Feng;Zhou,Ying-Jun;Kong,Xiao-Le;Hider,RobertC.;Zhou,Tao[ChemicalBiologyandDrugDesign,2014,vol.84,#6,p.659-668]

[10]CurrentPatentAssignee:RESINOUSPRODCHEMICAL-US2361259,1941,A

[11]CurrentPatentAssignee:I.G.FARBENINDUSTRIEAG(historic)-DE728531,1940,C[DRP/DRBPOrg.Chem.][DRP/DRBPOrg.Chem.]

1466-48-4

61582-70-5

[1]Yamagiwa,Yoshiro;Koreishi,Yoshiro;Kiyozumi,Satoshi;Kobayashi,Masanori;Kamikawa,Tadao;Tsukino,Mitsuji;Goi,Hironori;Yamamoto,Mikiko;Munakata,Megumu[BulletinoftheChemicalSocietyofJapan,1996,vol.69,#11,p.3317-3323]

[2]Hahn,F.Ekkehardt;Tamm,Matthias[JournalofOrganometallicChemistry,1994,vol.467,#1,p.103-112]

[3]Karunaratne;Hoveyda;Orvig[TetrahedronLetters,1992,vol.33,#14,p.1827-1830]

[4]Hahn,F.Ekkehardt;Tamm,Matthias[AngewandteChemie,1992,vol.104,#9,p.1218-1221]

1466-48-4

185112-34-9

[1]Zubarev;Ostrovskii[ChemistryofHeterocyclicCompounds,1996,vol.32,#8,p.980-981]

[2]Zubarev;Gurskaya;Zavodnik;Ostrovskii[ChemistryofHeterocyclicCompounds,1997,vol.33,#11,p.1292-1298]

1466-48-4

32974-66-6

nitrotris{2-2,3-dimethyl-1-(2,4,6-trichlorophenyl)-1H-1,2,4-triazol-2-ium-5-ylethyl}methanetris(hexachloroantimonate)

[1]Wang,Quanrui;Yang,Haiyan;Liu,Yi;Ding,Zongbiao;Tao,Fenggang[JournaloftheChemicalSociety.PerkinTransactions1(2001),2002,#7,p.991-995]

1466-48-4 | 1,1,1-Tris(2-cyanoethyl)nitromethane