1-Benzyloxy-3-(pentafluorosulfanyl)benzene - CAS 1272542-25-2
Catalog: |
BB006750 |
Product Name: |
1-Benzyloxy-3-(pentafluorosulfanyl)benzene |
CAS: |
1272542-25-2 |
Synonyms: |
pentafluoro-(3-phenylmethoxyphenyl)-lambda6-sulfane |
IUPAC Name: | pentafluoro-(3-phenylmethoxyphenyl)-λ6-sulfane |
Description: | 1-Benzyloxy-3-(pentafluorosulfanyl)benzene (CAS# 1272542-25-2) is a useful research chemical compound. |
Molecular Weight: | 310.28 |
Molecular Formula: | C13H11F5OS |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC(=CC=C2)S(F)(F)(F)(F)F |
InChI: | InChI=1S/C13H11F5OS/c14-20(15,16,17,18)13-8-4-7-12(9-13)19-10-11-5-2-1-3-6-11/h1-9H,10H2 |
InChI Key: | XWGOMDRKXXUJRW-UHFFFAOYSA-N |
LogP: | 5.92300 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2016046566-A1 | Diaryliodonium salt | 20140813 |
US-9376384-B2 | Diaryliodonium salt | 20140813 |
CZ-2010729-A3 | Process for preparing substituted 3- and 4-(pentafluorosulfanyl) benzenes | 20101007 |
CZ-303004-B6 | Process for preparing substituted 3- and 4-(pentafluorosulfanyl)benzenes | 20101007 |
EP-2625164-A1 | Process for the preparation of 3- and 4-(pentafluorosulfanyl)benzenes | 20101007 |
Complexity: | 335 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 310.04507695 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 310.04507695 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 10.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 7.1 |
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