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5-Nitro-1,3-Benzenedicarboxylicacid 1-Ethyl Ester
[CAS# 22871-55-2]

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Identification
Name 5-Nitro-1,3-Benzenedicarboxylicacid 1-Ethyl Ester
Synonyms 3-Ethoxycarbonyl-5-Nitro-Benzoic Acid; 3-Carbethoxy-5-Nitro-Benzoic Acid; 5-Nitroisophthalic Acid, Monoethyl Ester
Molecular Structure CAS#: 22871-55-2, 5-Nitro-1,3-Benzenedicarboxylicacid 1-Ethyl Ester
Molecular Formula C10H9NO6
Molecular Weight 239.18
CAS Registry Number 22871-55-2
EINECS 245-273-9
SMILES C1=C(C=C(C=C1C(OCC)=O)[N+](=O)[O-])C(O)=O
InChI 1S/C10H9NO6/c1-2-17-10(14)7-3-6(9(12)13)4-8(5-7)11(15)16/h3-5H,2H2,1H3,(H,12,13)
InChIKey HOYHBDFTELAGGG-UHFFFAOYSA-N
Properties
Density 1.422g/cm3 (Cal.)
Boiling point 425.1°C at 760 mmHg (Cal.)
Flash point 210.893°C (Cal.)
Safety Data
SDS Available
References
(1) Ya-Ling Liu, Pei Zou, Min-Hao Xie, Shi-Neng Luo and Yong-Jun He . Ethyl 3-carboxy-5-nitrobenzoate , Acta Cryst (2009). E65, o1174  
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