6-Bromo-2-chloro-3-phenylquinoline - CAS 85274-48-2
Catalog: |
BB037570 |
Product Name: |
6-Bromo-2-chloro-3-phenylquinoline |
CAS: |
85274-48-2 |
Synonyms: |
6-bromo-2-chloro-3-phenylquinoline |
IUPAC Name: | 6-bromo-2-chloro-3-phenylquinoline |
Description: | 6-Bromo-2-chloro-3-phenylquinoline (CAS# 85274-48-2 ) is a useful research chemical. |
Molecular Weight: | 318.60 |
Molecular Formula: | C15H9BrClN |
Canonical SMILES: | C1=CC=C(C=C1)C2=C(N=C3C=CC(=CC3=C2)Br)Cl |
InChI: | InChI=1S/C15H9BrClN/c16-12-6-7-14-11(8-12)9-13(15(17)18-14)10-4-2-1-3-5-10/h1-9H |
InChI Key: | KRUZBMLYYUQATF-UHFFFAOYSA-N |
Boiling Point: | 412.2 °C at 760 mmHg |
Density: | 1.515 g/cm3 |
LogP: | 5.31770 |
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 |
CN-106167464-A | One class quinoline derivatives, Preparation Method And The Use | 20150520 |
AU-2013403333-A1 | Phenyl linked quinolinyl modulators of ROR-gamma-t | 20131015 |
CA-2927152-A1 | Phenyl linked quinolinyl modulators of ror-gamma-t | 20131015 |
EP-3057950-A1 | Phenyl linked quinolinyl modulators of ror-gamma-t | 20131015 |
JP-2016535001-A | Phenyl-linked quinolinyl modulator of RORγt | 20131015 |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 316.96069 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 316.96069 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.5 |
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Quinoline/Isoquinoline
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