6-Chloroquinoline - CAS 612-57-7
Catalog: |
BB031022 |
Product Name: |
6-Chloroquinoline |
CAS: |
612-57-7 |
Synonyms: |
6-chloroquinoline |
IUPAC Name: | 6-chloroquinoline |
Description: | 6-Chloroquinoline (CAS# 612-57-7) is a useful research chemical. |
Molecular Weight: | 163.60 |
Molecular Formula: | C9H6ClN |
Canonical SMILES: | C1=CC2=C(C=CC(=C2)Cl)N=C1 |
InChI: | InChI=1S/C9H6ClN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H |
InChI Key: | GKJSZXGYFJBYRQ-UHFFFAOYSA-N |
Boiling Point: | 126-127 °C (10 mmHg) |
Melting Point: | 41-43 °C |
Purity: | > 98.0 % (GC) (T) |
Density: | 1.27 g/cm3 |
Appearance: | Beige to brown crystals |
MDL: | MFCD00024024 |
LogP: | 2.88820 |
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-113321673-A | Preparation method and application of neobynine boric acid compound | 20210618 |
CN-112250628-A | Method for preparing tetrahydroquinoline compound by catalytic hydrogenation of ruthenium catalyst | 20201021 |
CN-111992206-A | Ultra-dispersed noble metal heterogeneous catalyst and application thereof | 20200830 |
CN-111848508-A | Method for preparing quinoline compound | 20200731 |
JP-2021149004-A | Optical sheet base material | 20200319 |
PMID | Publication Date | Title | Journal |
21990014 | 20111104 | Structure-activity relationship for the first-in-class clinical steroid sulfatase inhibitor Irosustat (STX64, BN83495) | ChemMedChem |
21588259 | 20100707 | 1-{6-Chloro-2-[(2-chloro-8-methyl-3-quinol-yl)meth-oxy]-4-phenyl-quinolin-3-yl}ethanone | Acta crystallographica. Section E, Structure reports online |
21587915 | 20100618 | 1-{6-Chloro-2-[(2-chloro-6-methyl-quinolin-3-yl)meth-oxy]-4-phenyl-quinolin-3-yl}ethanone | Acta crystallographica. Section E, Structure reports online |
21587841 | 20100609 | 1-{6-Chloro-2-[(2-chloro-3-quinol-yl)meth-oxy]-4-phenyl-3-quinol-yl}ethan-1-one | Acta crystallographica. Section E, Structure reports online |
14629166 | 20031128 | Palladium charcoal-catalyzed Suzuki-Miyaura coupling to obtain arylpyridines and arylquinolines | The Journal of organic 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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