80-13-7,MFCD00045858
Catalog No.:AA003QR7

80-13-7 | Halazone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
90%
in stock  
$300.00   $210.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003QR7
Chemical Name:
Halazone
CAS Number:
80-13-7
Molecular Formula:
C7H5Cl2NO4S
Molecular Weight:
270.0899
MDL Number:
MFCD00045858
SMILES:
ClN(S(=O)(=O)c1ccc(cc1)C(=O)O)Cl
UN Number:
1479
Properties
Properties
 
BP:
437°C at 760 mmHg  
Form:
Solid  
MP:
195℃ (rough estimate)  

Computed Properties
 
Complexity:
329  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.6  

Literature

Title: FDA-approved drugs and other compounds tested as inhibitors of human glutathione transferase P1-1.

Journal: Chemico-biological interactions 20130905

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Inhibition profiling of human carbonic anhydrase II by high-throughput screening of structurally diverse, biologically active compounds.

Journal: Journal of biomolecular screening 20061001

Title: M Rack, et al. Effects of Some Chemical Reagents on Sodium Current Inactivation in Myelinated Nerve Fibers of the Frog. Biophys J. 1986 Oct;50(4):557-64.

Title: Rema Iyer, et al. Inhibition Profiling of Human Carbonic Anhydrase II by High-Throughput Screening of Structurally Diverse, Biologically Active Compounds. J Biomol Screen. 2006 Oct;11(7):782-91.

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SDS
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Tags:80-13-7 Molecular Formula|80-13-7 MDL|80-13-7 SMILES|80-13-7 Halazone
Catalog No.: AA003QR7
80-13-7,MFCD00045858
80-13-7 | Halazone
Pack Size: 1g
Purity: 90%
in stock
$300.00 $210.00
Quantity
- +
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Technical Information
Catalog Number: AA003QR7
Chemical Name: Halazone
CAS Number: 80-13-7
Molecular Formula: C7H5Cl2NO4S
Molecular Weight: 270.0899
MDL Number: MFCD00045858
SMILES: ClN(S(=O)(=O)c1ccc(cc1)C(=O)O)Cl
UN Number: 1479
Properties
BP: 437°C at 760 mmHg  
Form: Solid  
MP: 195℃ (rough estimate)  
Complexity: 329  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.6  
Literature fold

Title: FDA-approved drugs and other compounds tested as inhibitors of human glutathione transferase P1-1.

Journal: Chemico-biological interactions20130905

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

Title: Inhibition profiling of human carbonic anhydrase II by high-throughput screening of structurally diverse, biologically active compounds.

Journal: Journal of biomolecular screening20061001

Title: M Rack, et al. Effects of Some Chemical Reagents on Sodium Current Inactivation in Myelinated Nerve Fibers of the Frog. Biophys J. 1986 Oct;50(4):557-64.

Title: Rema Iyer, et al. Inhibition Profiling of Human Carbonic Anhydrase II by High-Throughput Screening of Structurally Diverse, Biologically Active Compounds. J Biomol Screen. 2006 Oct;11(7):782-91.

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