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Home >> Chemical Listing >> Page 1000 >> Methyl 4-Bromo-3,5-Dinitrobenzoate

Methyl 4-Bromo-3,5-Dinitrobenzoate
[CAS# 23938-86-5]

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Identification
Name Methyl 4-Bromo-3,5-Dinitrobenzoate
Synonyms methyl 4-bromo-3,5-dinitrobenzoate
Molecular Structure CAS#: 23938-86-5, Methyl 4-Bromo-3,5-Dinitrobenzoate
Molecular Formula C8H5BrN2O6
Molecular Weight 305.04
CAS Registry Number 23938-86-5
SMILES O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1Br)C(=O)OC
InChI 1S/C8H5BrN2O6/c1-17-8(12)4-2-5(10(13)14)7(9)6(3-4)11(15)16/h2-3H,1H3
InChIKey ACAXUEJPCRJXRJ-UHFFFAOYSA-N
Properties
Density 1.824g/cm3 (Cal.)
Boiling point 354.935°C at 760 mmHg (Cal.)
Flash point 168.459°C (Cal.)
Refractive index 1.621 (Cal.)
References
(1) J. S. Meisner, O. B. Berryman, L. N. Zakharov and D. W. Johnson. Methyl 4-bromo-3,5-dinitrobenzoate, Acta Cryst. (2007). E63, o2466 
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