2-Amino-5-bromo-3-nitropyridine - CAS 6945-68-2
Catalog: |
BB033835 |
Product Name: |
2-Amino-5-bromo-3-nitropyridine |
CAS: |
6945-68-2 |
Synonyms: |
2-Pyridinamine, 5-bromo-3-nitro-; 5-Bromo-3-nitro-2-pyridinamine; Pyridine, 2-amino-5-bromo-3-nitro-; 5-Bromo-3-nitropyridin-2-ylamine; NSC 52200 |
IUPAC Name: | 5-bromo-3-nitropyridin-2-amine |
Description: | 2-Amino-5-bromo-3-nitropyridine (CAS# 6945-68-2) is an intermediate used in the preparation of azaquinoxalinedione. It is also used in the synthesis of 2,3-diaminopyridine. |
Molecular Weight: | 218.01 |
Molecular Formula: | C5H4BrN3O2 |
Canonical SMILES: | C1=C(C(=NC=C1Br)N)[N+](=O)[O-] |
InChI: | InChI=1S/C5H4BrN3O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H,(H2,7,8) |
InChI Key: | QOOCOFOGYRQPPN-UHFFFAOYSA-N |
Boiling Point: | 302.9±37.0°C at 760 mmHg |
Melting Point: | 205°C |
Purity: | ≥95% |
Density: | 1.929±0.06 g/cm3 |
Appearance: | Light Yellow to Yellow to Orange Powder to Crystal |
Storage: | Store at RT under inert atmosphere |
MDL: | MFCD00047441 |
LogP: | 2.43890 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112824398-A | Immunomodulator | 20191120 |
WO-2021098844-A1 | Immunomodulator | 20191120 |
WO-2020120576-A1 | p38α AUTOPHOSPHORYLATION INHIBITORS | 20181211 |
WO-2019224667-A1 | Indanes as nrf2 activators | 20180523 |
EP-3796906-A1 | Indanes as nrf2 activators | 20180523 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.94869 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.94869 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 84.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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