4,4'-Dinitrodiphenicacid
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4,4'-Dinitrodiphenicacid
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CAS No:
20246-81-5
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Formula:
C14H8N2O8
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Chemical Name:
4,4'-Dinitrodiphenicacid
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Synonyms:
4,4'-Dinitrodiphenicacid;4,4'-Dinitro-2,2'-diphenicacid;4,4'-Dinitro-2,2'-biphenyldicarboxylicacid;4,4'-Dinitro-1,1'-biphenyl-2,2'-dicarboxylicacid
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CAS No:
4,4'-Dinitrodiphenicacid Use and Manufacturing
An amount of 12.1 g of DPA was dissolved in 75 mL of concentrated sulfuric acid and25 mL fuming nitric acid was added into the solution keeping the temperature below 50C.After addition, the solution was stirred continuously for 10 min, quickly heated to 60C andthen kept at this temperature for 2 hr. Consequently, the reaction mixture was poured intoa little crushed ice. After several hours, the slightly yellow solid was collected on a filter, washed and dried at 60C and 14.2 g of DNBPDC was obtained. mp: 236C (decomposed).The product is insoluble in ether, chloroform, and cold water, but soluble in alcohol andDMF. When the material was recrystallized from DMF at high temperature, very fineneedles were obtained. Anal. Calcd. (percent) for C16H15N3O8: C, 50.93; H, 4.01; N, 11.14.Found (percent): C, 50.90; H, 3.99 N, 11.05. IR: νas (CO2–) 1709(s) cm−1, νs (NO2)1344 (s)cm−1, and νas (NO2) 1533(m) cm−1.
Computed Properties
Molecular Weight:332.22
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:332.02806522
Monoisotopic Mass:332.02806522
Topological Polar Surface Area:166
Heavy Atom Count:24
Complexity:492
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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