4-Hydroxy-2-propyl-6-trifluoromethylquinoline - CAS 927800-87-1
Catalog: |
BB040623 |
Product Name: |
4-Hydroxy-2-propyl-6-trifluoromethylquinoline |
CAS: |
927800-87-1 |
Synonyms: |
2-propyl-6-(trifluoromethyl)-1H-quinolin-4-one |
IUPAC Name: | 2-propyl-6-(trifluoromethyl)-1H-quinolin-4-one |
Description: | 4-Hydroxy-2-propyl-6-trifluoromethylquinoline (CAS# 927800-87-1) is a useful research chemical. |
Molecular Weight: | 255.24 |
Molecular Formula: | C13H12F3NO |
Canonical SMILES: | CCCC1=CC(=O)C2=C(N1)C=CC(=C2)C(F)(F)F |
InChI: | InChI=1S/C13H12F3NO/c1-2-3-9-7-12(18)10-6-8(13(14,15)16)4-5-11(10)17-9/h4-7H,2-3H2,1H3,(H,17,18) |
InChI Key: | KNKABTRIBATKEM-UHFFFAOYSA-N |
Boiling Point: | 340.6 °C at 760 mmHg |
Density: | 1.288 g/cm3 |
LogP: | 3.91170 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 |
Signal Word: | Danger |
Complexity: | 362 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.08709849 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.08709849 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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