6,8-Dichloro-2-methyl-4-quinolone - CAS 95541-31-4
Catalog: |
BB041759 |
Product Name: |
6,8-Dichloro-2-methyl-4-quinolone |
CAS: |
95541-31-4 |
Synonyms: |
4(1H)-Quinolinone, 6,8-dichloro-2-methyl-; 6,8-Dichloro-2-methyl-4(1H)-quinolinone; 6,8-Dichloro-2-methylquinolin-4(1H)-one |
Related CAS: | 1204-16-6 (tautomeric isomer) |
IUPAC Name: | 6,8-dichloro-2-methyl-1H-quinolin-4-one |
Molecular Weight: | 228.07 |
Molecular Formula: | C10H7Cl2NO |
Canonical SMILES: | CC1=CC(=O)C2=CC(=CC(=C2N1)Cl)Cl |
InChI: | InChI=1S/C10H7Cl2NO/c1-5-2-9(14)7-3-6(11)4-8(12)10(7)13-5/h2-4H,1H3,(H,13,14) |
InChI Key: | VNMHNSLATBRUIG-UHFFFAOYSA-N |
Boiling Point: | 348.2±42.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.390±0.06 g/cm3 |
LogP: | 3.14330 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2008117079-A1 | Antimicrobial compounds based upon 4-aminoquinoline | 20070328 |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.9904692 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.9904692 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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Quinoline/Isoquinoline
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