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Home> Encyclopedia > Hot Product Listed 1   > 1,2,3-Thiadiazole,4-(4-bromophenyl)-
40753-13-7 structure

1,2,3-Thiadiazole,4-(4-bromophenyl)-

Iupac Name:4-(4-bromophenyl)thiadiazole
CAS No.:40753-13-7
Molecular Weight:241.106
Molecular Formula:C8H5BrN2S (isomer)
Properties
Density
1.642
Melting Point
154 °C
Boiling Point
341.5°C at 760 mmHg
Refractive Index
1.643
Flash Point
160.3°C
HS Code
2934999090
Safety and Handling
Hazard Codes
Xi
Risk Statements
R36/37/38
Safety Statements
26-36/37/39
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Precursor and Product
Computational chemical data
  • Molecular Weight:241.106g/mol
  • Molecular Formula:C8H5BrN2S
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.1
  • Exact Mass:239.936
  • Monoisotopic Mass:239.936
  • Complexity:148
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:54A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBzAABAEAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHARIQAABrAiFXgCwgZAAAACm AyRiQACCJBAgAgQYiDQwJLgIIKKAkRGAIABggAAIihcQgIAOAgAAAAAAAAAEAAAAAAAAAAAAAAAA AA==
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