Isoquinoline, 7-bromo-1-chloro-


Chemical Name: Isoquinoline, 7-bromo-1-chloro-
CAS Number: 215453-51-3
Product Number: AG003NDI(AGN-PC-0LUGTB)
Synonyms:
MDL No: MFCD04039320
Molecular Formula: C9H5BrClN
Molecular Weight: 242.4997

Identification/Properties


Properties
MP:
126-128°C
BP:
349.5°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
242.5g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
240.929g/mol
Monoisotopic Mass:
240.929g/mol
Topological Polar Surface Area:
12.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
165
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301-H315-H319-H335
Precautionary Statements:
P261-P301+P310-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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