2-Chloro-6-methyl-3-phenylquinoline - CAS 284664-59-1
Catalog: |
BB019861 |
Product Name: |
2-Chloro-6-methyl-3-phenylquinoline |
CAS: |
284664-59-1 |
Synonyms: |
2-chloro-6-methyl-3-phenylquinoline |
IUPAC Name: | 2-chloro-6-methyl-3-phenylquinoline |
Description: | 2-Chloro-6-methyl-3-phenylquinoline (CAS# 284664-59-1) is a useful research chemical. |
Molecular Weight: | 253.73 |
Molecular Formula: | C16H12ClN |
Canonical SMILES: | CC1=CC2=CC(=C(N=C2C=C1)Cl)C3=CC=CC=C3 |
InChI: | InChI=1S/C16H12ClN/c1-11-7-8-15-13(9-11)10-14(16(17)18-15)12-5-3-2-4-6-12/h2-10H,1H3 |
InChI Key: | KVZXVKOSIBJSNI-UHFFFAOYSA-N |
Boiling Point: | 380.6 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.206 g/cm3 |
LogP: | 4.86360 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning 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+P317, P305+P354+P338, P317, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2013146970-A1 | Novel quinoline derivative | 20120329 |
Complexity: | 274 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.0658271 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.0658271 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.1 |
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Related Functional Groups
Quinoline/Isoquinoline
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