4-Bromo-3-(trifluoromethyl)benzenesulfonyl chloride - CAS 351003-47-9
Catalog: |
BB022454 |
Product Name: |
4-Bromo-3-(trifluoromethyl)benzenesulfonyl chloride |
CAS: |
351003-47-9 |
Synonyms: |
4-bromo-3-(trifluoromethyl)benzenesulfonyl chloride |
IUPAC Name: | 4-bromo-3-(trifluoromethyl)benzenesulfonyl chloride |
Description: | 4-Bromo-3-(trifluoromethyl)benzenesulfonyl chloride (CAS# 351003-47-9) is a useful research chemical. |
Molecular Weight: | 323.51 |
Molecular Formula: | C7H3BrClF3O2S |
Canonical SMILES: | C1=CC(=C(C=C1S(=O)(=O)Cl)C(F)(F)F)Br |
InChI: | InChI=1S/C7H3BrClF3O2S/c8-6-2-1-4(15(9,13)14)3-5(6)7(10,11)12/h1-3H |
InChI Key: | QCFIMBHKZZLZAE-UHFFFAOYSA-N |
Boiling Point: | 290.6 °C at 760 mmHg |
Melting Point: | 32-33 °C |
Purity: | 95 % |
Density: | 1.833 g/cm3 |
MDL: | MFCD03094391 |
LogP: | 4.47620 |
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 |
Publication Number | Title | Priority Date |
CN-113461639-A | Piperazine-containing ferulic acid derivative, and preparation method and application thereof | 20210708 |
AU-2017371674-A1 | Benzenesulfonamide compounds and their use as therapeutic agents | 20161209 |
BR-112019011121-A2 | benzenesulfonamide compounds and their use as therapeutic agents | 20161209 |
EP-3551626-A1 | Benzenesulfonamide compounds and their use as therapeutic agents | 20161209 |
JP-2019536810-A | Benzenesulfonamide compounds and their use as therapeutic agents | 20161209 |
Complexity: | 324 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 321.86778 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 321.86778 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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