4-Bromo-1-chloroisoquinoline - CAS 66728-98-1
Catalog: |
BB033090 |
Product Name: |
4-Bromo-1-chloroisoquinoline |
CAS: |
66728-98-1 |
Synonyms: |
4-bromo-1-chloroisoquinoline; 4-bromo-1-chloroisoquinoline |
IUPAC Name: | 4-bromo-1-chloroisoquinoline |
Description: | 4-Bromo-1-chloroisoquinoline (CAS# 66728-98-1) is a useful research chemical. |
Molecular Weight: | 242.50 |
Molecular Formula: | C9H5BrClN |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CN=C2Cl)Br |
InChI: | InChI=1S/C9H5BrClN/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h1-5H |
InChI Key: | HRWILRGBDZGABZ-UHFFFAOYSA-N |
Boiling Point: | 328.8 °C at 760 mmHg |
Density: | 1.673 g/cm3 |
Appearance: | White to yellow solid |
LogP: | 3.65070 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110256343-A | Chloro- 4- bromo-isoquinoline derivative of 3,5- bis- and its preparation method and application | 20190528 |
WO-2020123674-A1 | Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same | 20181212 |
TW-202035359-A | Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same | 20181212 |
EP-3893645-A1 | Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same | 20181212 |
KR-20210102942-A | Substituted arylmethylureas and heteroarylmethylureas, analogs thereof, and methods of use thereof | 20181212 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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Quinoline/Isoquinoline
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