3-Acetyl-2-bromopyridine - CAS 84199-61-1
Catalog: |
BB037147 |
Product Name: |
3-Acetyl-2-bromopyridine |
CAS: |
84199-61-1 |
Synonyms: |
Ethanone, 1-(2-bromo-3-pyridinyl)-; 1-(2-Bromo-3-pyridinyl)ethanone; 1-(2-Bromo-3-pyridyl)ethanone |
IUPAC Name: | 1-(2-bromopyridin-3-yl)ethanone |
Description: | 3-Acetyl-2-bromopyridine (CAS# 84199-61-1) is a chemical reagent used in nonquaternary reactivators of GF-inhibited human acetylcholinesterase. Also used in the synthesis of HIV-1 reverse transriptase inhibitors. |
Molecular Weight: | 200.03 |
Molecular Formula: | C7H6BrNO |
Canonical SMILES: | CC(=O)C1=C(N=CC=C1)Br |
InChI: | InChI=1S/C7H6BrNO/c1-5(10)6-3-2-4-9-7(6)8/h2-4H,1H3 |
InChI Key: | VYJZSPNXTDPUJW-UHFFFAOYSA-N |
Boiling Point: | 115°C at 7 Torr |
Purity: | 95% |
Density: | 1.534±0.06 g/cm3 |
Appearance: | Liquid |
Storage: | Store at 2-8°C under inert gas (nitrogen or Argon) |
MDL: | MFCD04114370 |
LogP: | 2.04670 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2019011367-A | Method for producing optically active secondary alcohol | 20181012 |
US-2018114922-A1 | Compound and preparation method thereof, and organic electroluminescent device | 20160104 |
EP-3371191-A1 | Novel tricyclic compounds as inhibitors of mutant idh enzymes | 20151029 |
US-10399972-B2 | Tricyclic compounds as inhibitors of mutant IDH enzymes | 20151029 |
US-2018305352-A1 | Novel tricyclic compounds as inhibitors of mutant idh enzymes | 20151029 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.96328 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.96328 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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Pyridines
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