4,7-Dibromo-5-fluoro-2,1,3-benzothiadiazole


Chemical Name: 4,7-Dibromo-5-fluoro-2,1,3-benzothiadiazole
CAS Number: 1347736-74-6
Product Number: AG00364L(AGN-PC-0WAMFE)
Synonyms:
MDL No: MFCD26939241
Molecular Formula: C6HBr2FN2S
Molecular Weight: 311.9569

Identification/Properties


Properties
MP:
158-163°C
BP:
321.3±37.0°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
311.954g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
311.819g/mol
Monoisotopic Mass:
309.821g/mol
Topological Polar Surface Area:
54A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
185
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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