4-Chloro-2,7,8-trimethylquinoline - CAS 78509-29-2
Catalog: |
BB036182 |
Product Name: |
4-Chloro-2,7,8-trimethylquinoline |
CAS: |
78509-29-2 |
Synonyms: |
4-chloro-2,7,8-trimethylquinoline |
IUPAC Name: | 4-chloro-2,7,8-trimethylquinoline |
Description: | 4-Chloro-2,7,8-trimethylquinoline (CAS# 78509-29-2) is a useful research chemical. |
Molecular Weight: | 205.68 |
Molecular Formula: | C12H12ClN |
Canonical SMILES: | CC1=C(C2=C(C=C1)C(=CC(=N2)C)Cl)C |
InChI: | InChI=1S/C12H12ClN/c1-7-4-5-10-11(13)6-8(2)14-12(10)9(7)3/h4-6H,1-3H3 |
InChI Key: | NDTSUKTWPJRMAV-UHFFFAOYSA-N |
Boiling Point: | 307.3 °C at 760 mmHg |
Density: | 1.158 g/cm3 |
LogP: | 3.81340 |
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 |
Publication Number | Title | Priority Date |
RU-2314295-C2 | 2-hetaryl-substituted of 1,3-tropolone, method for their preparing (variants) and pharmaceutical composition with antibacterial effect | 20060301 |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.0658271 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.0658271 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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Quinoline/Isoquinoline
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