1-Chloro-4-hydroxyisoquinoline - CAS 3336-43-4
Catalog: |
BB021687 |
Product Name: |
1-Chloro-4-hydroxyisoquinoline |
CAS: |
3336-43-4 |
Synonyms: |
1-chloroisoquinolin-4-ol |
IUPAC Name: | 1-chloroisoquinolin-4-ol |
Description: | 1-Chloro-4-hydroxyisoquinoline (CAS# 3336-43-4 ) is a useful research chemical. |
Molecular Weight: | 179.60 |
Molecular Formula: | C9H6ClNO |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CN=C2Cl)O |
InChI: | InChI=1S/C9H6ClNO/c10-9-7-4-2-1-3-6(7)8(12)5-11-9/h1-5,12H |
InChI Key: | JEVLGPVFFYUBRI-UHFFFAOYSA-N |
Boiling Point: | 454.8 °C at 760 mmHg |
Density: | 1.412 g/cm3 |
MDL: | MFCD03425941 |
LogP: | 2.59380 |
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 |
WO-2021121210-A1 | Fused-ring derivative, and preparation method therefor and medical use thereof | 20191216 |
CA-3068158-A1 | .alpha.,.beta.-unsaturated amide compound | 20170623 |
CN-110770211-A | α unsaturated amide compound | 20170623 |
JP-WO2018235926-A1 | α, β unsaturated amide compounds | 20170623 |
KR-20200019979-A | α, β unsaturated amide compounds | 20170623 |
PMID | Publication Date | Title | Journal |
18543376 | 20080701 | Identification of low molecular weight carbohydrates employing new binary mixtures for matrix-assisted laser desorption/ionisation mass spectrometry | Rapid communications in mass spectrometry : RCM |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.0137915 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.0137915 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 33.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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Related Functional Groups
Quinoline/Isoquinoline
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