5-Bromo-8-chloroisoquinoline - CAS 956003-79-5
Catalog: |
BB041772 |
Product Name: |
5-Bromo-8-chloroisoquinoline |
CAS: |
956003-79-5 |
Synonyms: |
5-bromo-8-chloroisoquinoline; 5-bromo-8-chloroisoquinoline |
IUPAC Name: | 5-bromo-8-chloroisoquinoline |
Description: | 5-Bromo-8-chloroisoquinoline (CAS# 956003-79-5) is a useful research chemical. |
Molecular Weight: | 242.50 |
Molecular Formula: | C9H5BrClN |
Canonical SMILES: | C1=CC(=C2C=CN=CC2=C1Cl)Br |
InChI: | InChI=1S/C9H5BrClN/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-5H |
InChI Key: | RRKXGHIWLJDUIU-UHFFFAOYSA-N |
Boiling Point: | 341.4 °C at 760 mmHg |
Density: | 1.673 g/cm3 |
MDL: | MFCD07644623 |
LogP: | 3.65070 |
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 |
US-2021147386-A1 | Pyrrolidine and piperidine compounds | 20191106 |
WO-2021090245-A1 | Pyrrolidine and piperidine compounds | 20191106 |
EP-3188730-A1 | Tetrahydroisoquinoline derivatives useful as inhibitors of diacylglyceride o-acyltransferase 2 | 20140905 |
EP-3188730-B1 | Tetrahydroisoquinoline derivatives useful as inhibitors of diacylglyceride o-acyltransferase 2 | 20140905 |
EP-3188731-A1 | Isoquinoline derivatives useful as inhibitors of diacylglyceride o-acyltransferase 2 | 20140905 |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.92939 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.92939 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Quinoline/Isoquinoline
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS