1-Chloro-3-methylisoquinoline - CAS 7115-16-4
Catalog: |
BB034319 |
Product Name: |
1-Chloro-3-methylisoquinoline |
CAS: |
7115-16-4 |
Synonyms: |
1-chloro-3-methylisoquinoline; 1-chloro-3-methylisoquinoline |
IUPAC Name: | 1-chloro-3-methylisoquinoline |
Description: | 1-Chloro-3-methylisoquinoline (CAS# 7115-16-4) is a useful research chemical. |
Molecular Weight: | 177.63 |
Molecular Formula: | C10H8ClN |
Canonical SMILES: | CC1=CC2=CC=CC=C2C(=N1)Cl |
InChI: | InChI=1S/C10H8ClN/c1-7-6-8-4-2-3-5-9(8)10(11)12-7/h2-6H,1H3 |
InChI Key: | RWAHYDUCMPRQOP-UHFFFAOYSA-N |
Boiling Point: | 299.4 °C at 760 mmHg |
Density: | 1.225 g/cm3 |
LogP: | 3.19660 |
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 |
BR-112019012355-A2 | pyrazole derivatives as malt1 inhibitors | 20161221 |
CA-3048027-A1 | Pyrazole derivatives as malt1 inhibitors | 20161221 |
EP-3558969-A1 | Pyrazole derivatives as malt1 inhibitors | 20161221 |
JP-2020514267-A | Pyrazole derivatives as MALT1 inhibitors | 20161221 |
KR-20190093669-A | Pyrazole Derivatives as MALT1 Inhibitors | 20161221 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.0345270 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.0345270 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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Related Functional Groups
Quinoline/Isoquinoline
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