4-Bromobenzylsulfonyl chloride - CAS 53531-69-4
Catalog: |
BB028259 |
Product Name: |
4-Bromobenzylsulfonyl chloride |
CAS: |
53531-69-4 |
Synonyms: |
(4-bromophenyl)methanesulfonyl chloride; (4-bromophenyl)methanesulfonyl chloride |
IUPAC Name: | (4-bromophenyl)methanesulfonyl chloride |
Description: | 4-Bromobenzylsulfonyl chloride (CAS# 53531-69-4) is a useful research chemical. |
Molecular Weight: | 269.54 |
Molecular Formula: | C7H6BrClO2S |
Canonical SMILES: | C1=CC(=CC=C1CS(=O)(=O)Cl)Br |
InChI: | InChI=1S/C7H6BrClO2S/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5H2 |
InChI Key: | ZWVWFWGJZPHCHF-UHFFFAOYSA-N |
Boiling Point: | 116.5-121.5 °C |
Melting Point: | 117 °C |
Purity: | 95 % |
Density: | 1.746 g/cm3 |
MDL: | MFCD04973454 |
LogP: | 3.59850 |
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 |
WO-2021113363-A1 | Sstr5 antagonists | 20191203 |
WO-2021003084-A1 | P2x7r antagonists | 20190701 |
WO-2020056089-A1 | Phenoxy-pyridyl-pyrimidine compounds and methods of use | 20180912 |
TW-202024051-A | Phenoxy-pyridyl-pyrimidine compounds and methods of use | 20180912 |
EP-3849664-A1 | Phenoxy-pyridyl-pyrimidine compounds and methods of use | 20180912 |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.89604 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.89604 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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