3-Chloro-2-nitropyridine - CAS 54231-32-2
Catalog: |
BB028567 |
Product Name: |
3-Chloro-2-nitropyridine |
CAS: |
54231-32-2 |
Synonyms: |
Pyridine, 3-chloro-2-nitro- |
IUPAC Name: | 3-chloro-2-nitropyridine |
Molecular Weight: | 158.54 |
Molecular Formula: | C5H3ClN2O2 |
Canonical SMILES: | C1=CC(=C(N=C1)[N+](=O)[O-])Cl |
InChI: | InChI=1S/C5H3ClN2O2/c6-4-2-1-3-7-5(4)8(9)10/h1-3H |
InChI Key: | PSGASDJUCYTRAD-UHFFFAOYSA-N |
Boiling Point: | 279.1±20.0°C at 760 mmHg |
Melting Point: | 90-91°C |
Purity: | ≥95% |
Density: | 1.489±0.06 g/cm3 |
Solubility: | Soluble in Methanol |
Appearance: | Light Yellow to Yellow to Green Powder to Crystal |
Storage: | Store at RT |
MDL: | MFCD00490110 |
LogP: | 2.16640 |
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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Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.9883050 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.9883050 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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