2-Bromo-5-nitropyridine - CAS 4487-59-6
Catalog: |
BB025721 |
Product Name: |
2-Bromo-5-nitropyridine |
CAS: |
4487-59-6 |
Synonyms: |
Pyridine, 2-bromo-5-nitro-; 5-Nitro-2-bromopyridine; NSC 73702 |
IUPAC Name: | 2-bromo-5-nitropyridine |
Molecular Weight: | 202.99 |
Molecular Formula: | C5H3BrN2O2 |
Canonical SMILES: | C1=CC(=NC=C1[N+](=O)[O-])Br |
InChI: | InChI=1S/C5H3BrN2O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H |
InChI Key: | HUUFTVUBFFESEN-UHFFFAOYSA-N |
Boiling Point: | 145-147°C |
Melting Point: | 138°C |
Purity: | ≥95% |
Density: | 1.833±0.06 g/cm3 |
Solubility: | Soluble in Chloroform, Hot Methanol, Water (Insoluble) |
Appearance: | White to light yellow to light brown crystalline powder |
Storage: | Store at 2-8°C under inert atmosphere |
MDL: | MFCD00006222 |
LogP: | 2.27550 |
GHS Hazard Statement: | H301 (88.64%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113354630-A | 5, 6-dihydrobenzo [ h ] quinazoline compound and application thereof | 20210630 |
CN-112939829-A | Synthetic method of aryl trifluoromethyl thioether | 20210304 |
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CN-112961152-A | Synthesis method of palbociclib impurity | 20200226 |
WO-2021133689-A2 | Lipoxygenase inhibitors | 20191223 |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.93779 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.93779 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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