Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 4   > 4,9-Dibromonaphtho[2,3-c][1,2,5]thiadiazole
117309-46-3 structure

4,9-Dibromonaphtho[2,3-c][1,2,5]thiadiazole

CAS No.:117309-46-3
Molecular Weight:320.34036
Molecular Formula:C22H14BR2N2 (isomer)
Names and Identifiers
Synonyms

4,9-DIBROMONAPHTHO[2,3-C][1,2,5]THIADIAZOLE 4,9-Dibromonaphtho[2,3-c][1,2,5]thiadiazole ,97%

Inchi
InChI=1/C15H15NO5S/c1-21-12-7-9-13(10-8-12)22(19,20)16-14(15(17)18)11-5-3-2-4-6-11/h2-10,14,16H,1H3,(H,17,18)/p-1/t14-/m1/s1
Canonical Smiles
COC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(=O)[O-]
Isomers Smiles
COC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C2=CC=CC=C2)C(=O)[O-]
Properties
Density
1.223
Melting Point
171-173°C
Boiling Point
152.7°C at 760 mmHg
Vapour
8.34E-12mmHg at 25°C
Flash Point
259.373°C
HS Code
2935009090
Safety and Handling
HazardClass
IRRITANT
Computational chemical data
  • Molecular Weight:320.34036g/mol
  • Molecular Formula:C22H14BR2N2
  • Exact Mass:320.059268
  • Monoisotopic Mass:320.059268
  • Complexity:453
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:104
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
Recommended Suppliers
 
<