2,5-Dinitrobenzoic acid - CAS 610-28-6
Catalog: |
BB030905 |
Product Name: |
2,5-Dinitrobenzoic acid |
CAS: |
610-28-6 |
Synonyms: |
2,5-dinitrobenzoic acid |
IUPAC Name: | 2,5-dinitrobenzoic acid |
Description: | 2,5-Dinitrobenzoic acid (CAS# 610-28-6) is a useful research chemical. |
Molecular Weight: | 212.12 |
Molecular Formula: | C7H4N2O6 |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C7H4N2O6/c10-7(11)5-3-4(8(12)13)1-2-6(5)9(14)15/h1-3H,(H,10,11) |
InChI Key: | YKMDNKRCCODWMG-UHFFFAOYSA-N |
Boiling Point: | 419.6 °C at 760 mmHg |
MDL: | MFCD00024256 |
LogP: | 2.24760 |
Publication Number | Title | Priority Date |
CN-112679358-A | Method for continuously preparing 3, 5-dinitrobenzoic acid by using microchannel reactor | 20201229 |
CN-111620397-A | Treatment system and treatment method for nitric acid-containing system | 20200624 |
CN-111792631-A | Device and method for treating nitric acid containing high-boiling-point organic matters | 20200624 |
CN-212450641-U | Nitric acid treatment device containing high-boiling point organic matter | 20200624 |
JP-WO2018174253-A1 | Nitrobenzene derivatives or their salts and their uses | 20170324 |
PMID | Publication Date | Title | Journal |
22347111 | 20120201 | 2-Amino-5-nitro-benzoic acid | Acta crystallographica. Section E, Structure reports online |
17263515 | 20070222 | Application of Schrödinger equation to study the tunnelling dynamics of proton transfer in the hydrogen bond of 2,5-dinitrobenzoic acid: proton T1 T1rho, and deuteron T1 relaxation methods | The journal of physical chemistry. A |
15504469 | 20041201 | Oxidation of TNT by photo-Fenton process | Chemosphere |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.00693585 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.00693585 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 129 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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