1-Chloroisoquinoline - CAS 19493-44-8
Catalog: |
BB015090 |
Product Name: |
1-Chloroisoquinoline |
CAS: |
19493-44-8 |
Synonyms: |
1-chloroisoquinoline |
IUPAC Name: | 1-chloroisoquinoline |
Description: | 1-Chloroisoquinoline (CAS# 19493-44-8) is used in the preparation of new aminoisoquinolinylurea derivatives which show antiproliferative activity against melanoma cell lines. It can also be applied to the control of storage and stability of unstable boronic acids. |
Molecular Weight: | 163.60 |
Molecular Formula: | C9H6ClN |
Canonical SMILES: | C1=CC=C2C(=C1)C=CN=C2Cl |
InChI: | InChI=1S/C9H6ClN/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H |
InChI Key: | MSQCQINLJMEVNJ-UHFFFAOYSA-N |
Boiling Point: | 274-275 °C (768 mmHg) |
Melting Point: | 31-36 °C |
Purity: | 95 % |
Density: | 1.27 g/cm3 |
Appearance: | White solid. |
MDL: | MFCD00024134 |
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-113512040-A | Novel sanguinarine bionic analogue and preparation method thereof | 20210825 |
CN-112871219-A | Flame-retardant composition for hydrogenation catalysis and use method thereof | 20210114 |
CN-112574107-A | Synthesis method of atropisomeric 1-arylisoquinoline N-oxide and derivatives thereof | 20201218 |
CN-112300072-A | High-yield synthesis method of 5-iodoisoquinoline compounds | 20201014 |
CN-111925266-A | Preparation method of (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline | 20200701 |
PMID | Publication Date | Title | Journal |
22111927 | 20111222 | Structure-guided evolution of potent and selective CHK1 inhibitors through scaffold morphing | Journal of medicinal chemistry |
20860394 | 20101015 | A five-step synthesis of (S)-macrostomine from (S)-nicotine | Organic letters |
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: | 3.2 |
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Related Functional Groups
Quinoline/Isoquinoline
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