2-bromo-5-methyl-1,3-thiazole


Chemical Name: 2-bromo-5-methyl-1,3-thiazole
CAS Number: 41731-23-1
Product Number: AG00335X(AGN-PC-03HII4)
Synonyms:
MDL No: MFCD08460610
Molecular Formula: C4H4BrNS
Molecular Weight: 178.0503

Identification/Properties


Properties
BP:
82 - 84 °C at 12 mmHg
Storage:
2-8℃;Inert atmosphere;
Form:
Liquid
Refractive Index:
1.5730 to 1.5770
Computed Properties
Molecular Weight:
178.047g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
176.925g/mol
Monoisotopic Mass:
176.925g/mol
Topological Polar Surface Area:
41.1A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
68.7
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:
H302-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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