5-Chloroquinoline - CAS 635-27-8
Catalog: |
BB032183 |
Product Name: |
5-Chloroquinoline |
CAS: |
635-27-8 |
Synonyms: |
5-chloroquinoline |
IUPAC Name: | 5-chloroquinoline |
Description: | 5-Chloroquinoline (CAS# 635-27-8) is a compound useful in organic synthesis. |
Molecular Weight: | 163.60 |
Molecular Formula: | C9H6ClN |
Canonical SMILES: | C1=CC2=C(C=CC=N2)C(=C1)Cl |
InChI: | InChI=1S/C9H6ClN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H |
InChI Key: | HJSRGOVAIOPERP-UHFFFAOYSA-N |
Boiling Point: | 273 °C at 760 mmHg |
Melting Point: | 28-32 °C |
Purity: | 95 % |
Density: | 1.27 g/cm3 |
Appearance: | Yellow solid |
Storage: | 2-8 °C |
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 |
JP-2020121936-A | Organic iridium complex for organic electroluminescent device | 20190130 |
WO-2020158689-A1 | Organic iridium complex for organic electroluminescent element | 20190130 |
KR-20210102352-A | Organic iridium complex for organic electroluminescent device | 20190130 |
CN-107382969-B | Phenylpyrazole zwitterionic compound and application thereof in resistant pest control | 20170724 |
CN-109561689-A | Aqueous capsule suspension concentrating agents based on -4,4 '-dimethyl -3- isoxazole alkanone of 2- [(2,4- dichlorophenyl) methyl] | 20160804 |
PMID | Publication Date | Title | Journal |
21080020 | 20110701 | Supramolecular synthon pattern in solid clioquinol and cloxiquine (APIs of antibacterial, antifungal, antiaging and antituberculosis drugs) studied by ³⁵Cl NQR, ¹H-¹⁷O and ¹H-¹⁴N NQDR and DFT/QTAIM | Journal of molecular modeling |
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: | 3.3 |
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