2-Chloroquinoline - CAS 612-62-4
Catalog: |
BB031029 |
Product Name: |
2-Chloroquinoline |
CAS: |
612-62-4 |
Synonyms: |
2-chloroquinoline |
IUPAC Name: | 2-chloroquinoline |
Description: | 2-Chloroquinoline (CAS# 612-62-4) is an intermediate used in the synthesis of various compounds that exhibits antifungal properties. |
Molecular Weight: | 163.60 |
Molecular Formula: | C9H6ClN |
Canonical SMILES: | C1=CC=C2C(=C1)C=CC(=N2)Cl |
InChI: | InChI=1S/C9H6ClN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H |
InChI Key: | OFUFXTHGZWIDDB-UHFFFAOYSA-N |
Boiling Point: | 265-267 °C |
Melting Point: | 34-37 °C |
Purity: | > 98.0 % (GC) |
Density: | 1.23 g/cm3 |
Appearance: | White to yellowish crystals, powder, chunks or |
Storage: | Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00006741 |
LogP: | 2.88820 |
Vapor Pressure: | 0.00508 [mmHg] |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113292468-A | Preparation method of all-trans beta-carotene | 20210628 |
CN-113004312-A | Method for preparing 2-chloroquinoline-3-boric acid | 20210301 |
CN-112707799-A | Method for preparing 3,4' -dichlorodiphenyl ether from difenoconazole isomer | 20201228 |
CN-112390781-A | Diaryl substituted 1, 1-ethylene compound, preparation method and application | 20201118 |
CN-112239871-A | Method for continuously preparing C-2 chloro-substituted quinoline by using electrochemical microchannel reaction device | 20201021 |
PMID | Publication Date | Title | Journal |
23790070 | 20131201 | Synthesis and 3D-QSAR analysis of 2-chloroquinoline derivatives as H37 RV MTB inhibitors | Chemical biology & drug design |
22748770 | 20121001 | Prion inhibition with multivalent PrPSc binding compounds | Biomaterials |
22753234 | 20120901 | Cinnamic acid/chloroquinoline conjugates as potent agents against chloroquine-resistant Plasmodium falciparum | ChemMedChem |
22608675 | 20120801 | Discovery of a new antileishmanial hit in 8-nitroquinoline series | European journal of medicinal chemistry |
22386978 | 20120401 | C-C bond formation at C-2 of a quinoline ring: synthesis of 2-(1H-indol-3-yl)quinoline-3-carbonitrile derivatives as a new class of PDE4 inhibitors | Bioorganic & medicinal chemistry |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.0188769 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.0188769 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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