5,6-Dibromo-2,1,3-benzothiadiazole
Basic information
- CAS
18392-81-9- Standard SMILES
Brc1cc2nsnc2cc1Br- InChIKey
XIDGOHYQUCNHTL-UHFFFAOYSA-N- Molecular formula
- C6H2Br2N2S
- Average molar mass
- 293.97 g/mol
- Monoisotopic mass
- 291.83054
Names & identifiers
- Preferred name
- 5,6-Dibromo-2,1,3-benzothiadiazole
- IUPAC
- 5,6-dibromo-2,1,3-benzothiadiazole
- English name
- 5,6-DibroMo-2,1,3-benzothiadiazole
- Molecular formula
- C6H2Br2N2S
- Molecular weight
- 293.97
Names & synonyms
5,6-Dibromo-2,1,3-benzothiadiazole18392-81-9DTXSID20453175RefChem:298563DTXCID804039945,6-Dibromobenzo[c][1,2,5]thiadiazoleMFCD20257910SCHEMBL15417096AKOS005186842DS-19404SY056301CS-0157816
Show more names
2,1,3-Benzothiadiazole, 5,6-dibromo-5,6-Dibromo-2,1,3-benzothiadiazole>5,6-dibromobenzo[b]-2,1,3-thiadiazole
D4064C73541A9035495,6-Dibromobenzo[1,2,5]thiadiazole5,6-Dibromo-benzo[1,2,5]thiadiazoleDB-219240F511106
Database identifiers
- CAS
18392-81-9- PubChem CID
- 11044589
- DTXSID
DTXSID20453175- Nikkaji
- J2.584.272C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Melting point
- 131 to · 131.0 to 135.0 °C
- Boiling point
- 334.5 · 334.5±22.0 °C(Predicted)
- Density
- 2.229 · 2.229±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Toluene
- form
- powder to crystal
- pka
- -1.97 · -1.97±0.50(Predicted)
- color
- White to Light yellow to Light orange
- CAS DataBase Reference
- 18392 · 18392-81-9
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
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