5-Chloro-8-quinolinetrifluoromethanesulfonate - CAS 157437-38-2
Catalog: |
BB011322 |
Product Name: |
5-Chloro-8-quinolinetrifluoromethanesulfonate |
CAS: |
157437-38-2 |
Synonyms: |
(5-chloroquinolin-8-yl) trifluoromethanesulfonate |
IUPAC Name: | (5-chloroquinolin-8-yl) trifluoromethanesulfonate |
Description: | 5-Chloro-8-quinolinetrifluoromethanesulfonate (CAS# 157437-38-2 ) is a useful research chemical. |
Molecular Weight: | 311.66 |
Molecular Formula: | C10H5ClF3NO3S |
Canonical SMILES: | C1=CC2=C(C=CC(=C2N=C1)OS(=O)(=O)C(F)(F)F)Cl |
InChI: | InChI=1S/C10H5ClF3NO3S/c11-7-3-4-8(9-6(7)2-1-5-15-9)18-19(16,17)10(12,13)14/h1-5H |
InChI Key: | ICTAEAXUAWQHSL-UHFFFAOYSA-N |
Boiling Point: | 386.394 °C at 760 mmHg |
Density: | 1.639 g/cm3 |
MDL: | MFCD07369729 |
LogP: | 4.19740 |
GHS Hazard Statement: | H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2009054454-A1 | Benzofuranyl- and benzothienyl- piperazinyl quinolines and methods of their use | 20070821 |
AU-2006257874-A1 | Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor | 20050610 |
BR-PI0613491-A2 | piperazine-piperidine antagonists and 5-ht1a receptor agonists | 20050610 |
CA-2611711-A1 | Piperazine-piperidine antagonists and agonists of the 5-ht1a receptor | 20050610 |
CN-101243073-A | Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor | 20050610 |
Complexity: | 423 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 310.9630764 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 310.9630764 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 64.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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