Benzothiazole, 2-chloro-5-nitro-


Chemical Name: Benzothiazole, 2-chloro-5-nitro-
CAS Number: 3622-38-6
Product Number: AG00338H(AGN-PC-008M2K)
Synonyms:
MDL No:
Molecular Formula: C7H3ClN2O2S
Molecular Weight: 214.6289

Identification/Properties


Properties
MP:
112 °C
BP:
348.1°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
214.623g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
213.96g/mol
Monoisotopic Mass:
213.96g/mol
Topological Polar Surface Area:
87A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
223
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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