Isoquinoline, 4-bromo-


Chemical Name: Isoquinoline, 4-bromo-
CAS Number: 1532-97-4
Product Number: AG003L04(AGN-PC-0JLB5V)
Synonyms:
MDL No:
Molecular Formula: C9H6BrN
Molecular Weight: 208.0546

Identification/Properties


Properties
MP:
40-43 °C(lit.)
BP:
282.5°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.6641 (estimate)
Computed Properties
Molecular Weight:
208.058g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
206.968g/mol
Monoisotopic Mass:
206.968g/mol
Topological Polar Surface Area:
12.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
138
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:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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