5-Bromothiophene-2-sulfonyl chloride - CAS 55854-46-1
Catalog: |
BB029200 |
Product Name: |
5-Bromothiophene-2-sulfonyl chloride |
CAS: |
55854-46-1 |
Synonyms: |
2-Thiophenesulfonyl chloride, 5-bromo-; 5-Bromo-2-thiophenesulfonyl chloride |
IUPAC Name: | 5-bromothiophene-2-sulfonyl chloride |
Molecular Weight: | 261.54 |
Molecular Formula: | C4H2BrClO2S2 |
Canonical SMILES: | C1=C(SC(=C1)Br)S(=O)(=O)Cl |
InChI: | InChI=1S/C4H2BrClO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H |
InChI Key: | WGYBIEOLAFYDEC-UHFFFAOYSA-N |
Boiling Point: | 105-110°C at 4 Torr |
Melting Point: | 40-44°C |
Purity: | 95% |
Density: | 1.985±0.06 g/cm3 |
Appearance: | Off-white or Faint Lemon Crystalline Powder |
Storage: | Store at -20°C under inert atmosphere |
MDL: | MFCD00084909 |
LogP: | 3.51890 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P333+P313, P363, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.83681 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.83681 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 70.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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Thiophenes
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