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CAS 254732-52-0

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Thiophene, 2,5-dibromo-3,4-dinitro-, hydrate (1:1)

Description:
Thiophene, 2,5-dibromo-3,4-dinitro-, hydrate (1:1) is a heterocyclic organic compound characterized by a five-membered aromatic ring containing sulfur and two bromine atoms at the 2 and 5 positions, along with two nitro groups at the 3 and 4 positions. This compound is notable for its potential applications in organic synthesis and materials science due to the presence of both halogen and nitro functional groups, which can participate in various chemical reactions. The hydrate form indicates that it contains water molecules in its crystalline structure, which can influence its solubility and stability. The presence of bromine enhances its reactivity, making it useful in electrophilic substitution reactions, while the nitro groups can serve as electron-withdrawing groups, affecting the electronic properties of the thiophene ring. Overall, this compound exemplifies the diverse chemistry of substituted thiophenes, which are important in the development of pharmaceuticals, agrochemicals, and electronic materials.
Formula:C4Br2N2O4S·H2O
InChI:InChI=1S/C4Br2N2O4S.H2O/c5-3-1(7(9)10)2(8(11)12)4(6)13-3;/h;1H2
InChI key:InChIKey=IVYDENTXLFXKAS-UHFFFAOYSA-N
SMILES:N(=O)(=O)C=1C(N(=O)=O)=C(Br)SC1Br.O
Synonyms:
  • Thiophene, 2,5-dibromo-3,4-dinitro-, monohydrate
  • Thiophene, 2,5-dibromo-3,4-dinitro-, hydrate (1:1)
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