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Home >> Chemical Listing >> Page 12 >> Dimethyl [2-Nitro-1-(4-Nitrophenyl)Ethyl]Malonate

Dimethyl [2-Nitro-1-(4-Nitrophenyl)Ethyl]Malonate
[CAS# 100796-42-7]

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Identification
Name Dimethyl [2-Nitro-1-(4-Nitrophenyl)Ethyl]Malonate
Synonyms Propanedioic acid, 2-[2-nitro-1-(4-nitrophenyl)ethyl]-, 1,3-dimethyl ester
Molecular Structure CAS#: 100796-42-7, Dimethyl [2-Nitro-1-(4-Nitrophenyl)Ethyl]Malonate
Molecular Formula C13H14N2O8
Molecular Weight 326.26
CAS Registry Number 100796-42-7
SMILES O=C(OC)C(C(=O)OC)C(c1ccc(cc1)[N+]([O-])=O)C[N+]([O-])=O
InChI 1S/C13H14N2O8/c1-22-12(16)11(13(17)23-2)10(7-14(18)19)8-3-5-9(6-4-8)15(20)21/h3-6,10-11H,7H2,1-2H3
InChIKey KXHGLPKCSJTILD-UHFFFAOYSA-N
Properties
Density 1.374g/cm3 (Cal.)
Boiling point 480.572°C at 760 mmHg (Cal.)
Flash point 206.76°C (Cal.)
Refractive index 1.545 (Cal.)
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