2-Acetyl-5-chloropyridine - CAS 94952-46-2
Catalog: |
BB041589 |
Product Name: |
2-Acetyl-5-chloropyridine |
CAS: |
94952-46-2 |
Synonyms: |
1-(5-chloro-2-pyridinyl)ethanone; 1-(5-chloropyridin-2-yl)ethanone |
IUPAC Name: | 1-(5-chloropyridin-2-yl)ethanone |
Description: | 2-Acetyl-5-chloropyridine (CAS# 94952-46-2) is a useful research chemical. |
Molecular Weight: | 155.58 |
Molecular Formula: | C7H6ClNO |
Canonical SMILES: | CC(=O)C1=NC=C(C=C1)Cl |
InChI: | InChI=1S/C7H6ClNO/c1-5(10)7-3-2-6(8)4-9-7/h2-4H,1H3 |
InChI Key: | VVYMEQBXUFPILB-UHFFFAOYSA-N |
Boiling Point: | 236.764 °C at 760 mmHg |
Density: | 1.233 g/cm3 |
Appearance: | Solid |
Storage: | Inert atmosphere, Room Temperature |
LogP: | 1.93760 |
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 |
WO-2021097139-A1 | Chiral synthesis of a tertiary alcohol | 20191115 |
CN-110423234-B | Thiosemicarbazone derivative containing indole fragment and preparation method and application thereof | 20190815 |
WO-2020243459-A1 | Thiadiazolyl derivatives as dna polymerase theta inhibitors | 20190531 |
EP-3597653-A1 | Cyclic inhibitors of hepatitis b virus | 20180719 |
WO-2019101643-A1 | 3-oxo-6-heteroaryl-2-phenyl-2,3-dihydropyridazine-4-carboxamides | 20171121 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.0137915 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.0137915 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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