2,5-Dibromo-3,4-dinitrothiophene - CAS 52431-30-8
Catalog: |
BB027825 |
Product Name: |
2,5-Dibromo-3,4-dinitrothiophene |
CAS: |
52431-30-8 |
Synonyms: |
2,5-dibromo-3,4-dinitrothiophene; 2,5-dibromo-3,4-dinitrothiophene |
IUPAC Name: | 2,5-dibromo-3,4-dinitrothiophene |
Description: | 2,5-Dibromo-3,4-dinitrothiophene (CAS# 52431-30-8) is a useful reagent used in the preparation of bromodinitro compounds and it's derivatives. |
Molecular Weight: | 331.93 |
Molecular Formula: | C4Br2N2O4S |
Canonical SMILES: | C1(=C(SC(=C1[N+](=O)[O-])Br)Br)[N+](=O)[O-] |
InChI: | InChI=1S/C4Br2N2O4S/c5-3-1(7(9)10)2(8(11)12)4(6)13-3 |
InChI Key: | AHGHPBPARMANQD-UHFFFAOYSA-N |
Boiling Point: | 341.2 °C at 760 mmHg |
Melting Point: | 137 °C |
Purity: | 98 % |
Density: | 2.459 g/cm3 |
Appearance: | Pale yellow to yellow green powder |
MDL: | MFCD00015537 |
LogP: | 4.13590 |
GHS Hazard Statement: | H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113354598-A | Simple and efficient nitration method of aromatic heterocyclic compound | 20210706 |
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PMID | Publication Date | Title | Journal |
21582772 | 20090606 | 3,4-Dinitro-2,5-bis-[4-(trifluoro-meth-yl)phen-yl]thio-phene | Acta crystallographica. Section E, Structure reports online |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 331.79250 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 329.79455 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 120 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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