4-Thiazolecarboxylic acid, 2-bromo-, ethyl ester


Chemical Name: 4-Thiazolecarboxylic acid, 2-bromo-, ethyl ester
CAS Number: 100367-77-9
Product Number: AG0001QJ(AGN-PC-0JQB72)
Synonyms:
MDL No: MFCD03788564
Molecular Formula: C6H6BrNO2S
Molecular Weight: 236.0863

Identification/Properties


Properties
MP:
48-52 °C
BP:
277.6°C at 760 mmHg
Storage:
Inert atmosphere;Light sensitive;Room Temperature;
Form:
Solid
Stability:
Moisture & Light Sensitive
Computed Properties
Molecular Weight:
236.083g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
234.93g/mol
Monoisotopic Mass:
234.93g/mol
Topological Polar Surface Area:
67.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
156
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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