4-Amino-2-chloro-5-nitropyridine - CAS 2604-39-9
Catalog: |
BB019117 |
Product Name: |
4-Amino-2-chloro-5-nitropyridine |
CAS: |
2604-39-9 |
Synonyms: |
2-chloro-5-nitro-4-pyridinamine; 2-chloro-5-nitropyridin-4-amine |
IUPAC Name: | 2-chloro-5-nitropyridin-4-amine |
Description: | 4-Amino-2-chloro-5-nitropyridine (CAS# 2604-39-9) is a useful research chemical. |
Molecular Weight: | 173.56 |
Molecular Formula: | C5H4ClN3O2 |
Canonical SMILES: | C1=C(C(=CN=C1Cl)[N+](=O)[O-])N |
InChI: | InChI=1S/C5H4ClN3O2/c6-5-1-3(7)4(2-8-5)9(10)11/h1-2H,(H2,7,8) |
InChI Key: | YKWBEPUOVBMENG-UHFFFAOYSA-N |
Boiling Point: | 388.484 °C at 760 mmHg |
Density: | 1.596 g/cm3 |
Appearance: | White to light yellow powder |
MDL: | MFCD09033797 |
LogP: | 2.32980 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22590403 | 20120501 | 2-Chloro-5-nitro-pyridin-4-amine | Acta crystallographica. Section E, Structure reports online |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.9992041 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.9992041 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 84.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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Pyridines
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