- 3-Chloro-4-nitropyridine
- 3-Chloro-4-nitropyridine 1-oxide
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Cas Database |
| Name |
3-Chloro-4-nitropyridine 1-oxide |
EINECS | N/A |
| CAS No. | 76439-45-7 | Density | 1.62g/cm3 |
| PSA | 71.28000 | LogP | 2.19990 |
| Solubility | N/A | Melting Point |
115 °C |
| Formula | C5H3ClN2O3 | Boiling Point | 425.5oC at 760 mmHg |
| Molecular Weight | 174.54192 | Flash Point | 211.1oC |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26 | Risk Codes | 36 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-Chloro-4-nitropyridine1-oxide;3-Chloro-4-nitropyridine N-oxide;4-Nitro-3-chloropyridine 1-oxide;4-Nitro-3-chloropyridine-N-oxide;3-chloro-4-nitro-1-oxidopyridin-1-ium; |
Article Data | 10 |
3-Chloro-4-nitropyridine 1-oxide Specification
The Pyridine,3-chloro-4-nitro-, 1-oxide, with the CAS registry number 76439-45-7, has the IUPAC name of 3-chloro-4-nitro-1-oxidopyridin-1-ium. It belongs to the product categories of Pharmacetical and Pyridines. And the molecular formula of the chemical is C5H3ClN2O3.
The characteristics of Pyridine,3-chloro-4-nitro-, 1-oxide are as followings: (1)XLogP3-AA 0.3 ; (2)H-Bond Donor 0 ; (3)H-Bond Acceptor 3 ; (4)Rotatable Bond Count 0; (5)Exact Mass 173.98322; (6)MonoIsotopic Mass 173.98322; (7)Topological Polar Surface Area 71.3; (8)Heavy Atom Count 11; (9)Formal Charge 0; (10)Complexity 160; (11)Isotope Atom Count 0; (12)Defined Atom StereoCenter Count 0; (13)Undefined Atom StereoCenter Count 0; (14)Defined Bond StereoCenter Count 0; (15)Undefined Bond StereoCenter Count 0; (16)Covalently-Bonded Unit Count 1; (17)Feature 3D Acceptor Count 2; (18)Feature 3D Anion Count 2; (19)Feature 3D Ring Count 1.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cn(O)ccc1[N+]([O-])=O
(2)InChI: InChI=1/C5H4ClN2O3/c6-4-3-7(9)2-1-5(4)8(10)11/h1-3,9H
(3)InChIKey: CCBRGTGUGMAFGY-UHFFFAOYAF
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