2-[(Phenylsulfonyl)methyl]benzyl bromide - CAS 88116-02-3
Catalog: |
BB038738 |
Product Name: |
2-[(Phenylsulfonyl)methyl]benzyl bromide |
CAS: |
88116-02-3 |
Synonyms: |
1-(benzenesulfonylmethyl)-2-(bromomethyl)benzene |
IUPAC Name: | 1-(benzenesulfonylmethyl)-2-(bromomethyl)benzene |
Description: | 2-[(Phenylsulfonyl)methyl]benzyl bromide (CAS# 88116-02-3 ) is a useful research chemical. |
Molecular Weight: | 325.22 |
Molecular Formula: | C14H13BrO2S |
Canonical SMILES: | C1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2CBr |
InChI: | InChI=1S/C14H13BrO2S/c15-10-12-6-4-5-7-13(12)11-18(16,17)14-8-2-1-3-9-14/h1-9H,10-11H2 |
InChI Key: | SYNKYJKCQBVGSL-UHFFFAOYSA-N |
Boiling Point: | 480.2 °C at 760 mmHg |
Density: | 1.468 g/cm3 |
MDL: | MFCD00007552 |
LogP: | 4.63620 |
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 |
EP-3395804-A1 | Novel spiroquinone derivative compound, production method thereof, and pharmaceutical composition for preventing or treating neurological disorders which contains same as active ingredient | 20160908 |
EP-3395804-B1 | Novel spiroquinone derivative compound, production method thereof, and pharmaceutical composition for preventing or treating neurological disorders which contains same as active ingredient | 20160908 |
KR-101850062-B1 | Novel spiroquinone compound, method for preparing the same, and pharmaceutical composition for use in preventing or treating neurological diseases containing the same as an active ingredient | 20160908 |
KR-20180028391-A | Novel spiroquinone compound, method for preparing the same, and pharmaceutical composition for use in preventing or treating neurological diseases containing the same as an active ingredient | 20160908 |
US-2018327370-A1 | Novel spiroquinone derivative compound, production method thereof, and pharamaceutical composition for preventing or treating neurological disorders which contains same as active ingredient | 20160908 |
Complexity: | 341 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 323.98196 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 323.98196 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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