2,1,3-Benzothiadiazole, 5-chloro-


Chemical Name: 2,1,3-Benzothiadiazole, 5-chloro-
CAS Number: 2207-32-1
Product Number: AG00BED1(AGN-PC-0JP7AB)
Synonyms:
MDL No:
Molecular Formula: C6H3ClN2S
Molecular Weight: 170.6194

Identification/Properties


Properties
MP:
55-57 °C
BP:
248.1°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
170.614g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
169.971g/mol
Monoisotopic Mass:
169.971g/mol
Topological Polar Surface Area:
54A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
133
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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