3-Bromobenzenesulfonyl chloride - CAS 2905-24-0
Catalog: |
BB020065 |
Product Name: |
3-Bromobenzenesulfonyl chloride |
CAS: |
2905-24-0 |
Synonyms: |
3-bromobenzenesulfonyl chloride |
IUPAC Name: | 3-bromobenzenesulfonyl chloride |
Description: | 3-Bromobenzenesulfonyl chloride (CAS# 2905-24-0) is an intermediate used to prepare sulfonamide-substituted cyclooctylpyranones as nonpeptidic HIV protease inhibitors. |
Molecular Weight: | 255.52 |
Molecular Formula: | C6H4BrClO2S |
Canonical SMILES: | C1=CC(=CC(=C1)Br)S(=O)(=O)Cl |
InChI: | InChI=1S/C6H4BrClO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H |
InChI Key: | PJGOLCXVWIYXRQ-UHFFFAOYSA-N |
Boiling Point: | 90-92 °C (0.5 mmHg) |
Melting Point: | 31-33 °C |
Purity: | 95 % |
Density: | 1.773 g/cm3 |
Appearance: | Clear colorless to yellow liquid |
MDL: | MFCD00052313 |
LogP: | 3.45740 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.88039 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.88039 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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