1,3-Benzodithiolylium Tetrafluoroborate - CAS 57842-27-0
Catalog: |
BB029843 |
Product Name: |
1,3-Benzodithiolylium Tetrafluoroborate |
CAS: |
57842-27-0 |
Synonyms: |
1,3-benzodithiol-3-ium;tetrafluoroborate; 1,3-benzodithiol-3-ium;tetrafluoroborate |
IUPAC Name: | 1,3-benzodithiol-3-ium;tetrafluoroborate |
Description: | 1,3-Benzodithiolylium Tetrafluoroborate (CAS# 57842-27-0) is a useful research chemical. |
Molecular Weight: | 240.05 |
Molecular Formula: | C7H5F4S2B |
Canonical SMILES: | [B-](F)(F)(F)F.C1=CC=C2C(=C1)SC=[S+]2 |
InChI: | InChI=1S/C7H5S2.BF4/c1-2-4-7-6(3-1)8-5-9-7;2-1(3,4)5/h1-5H;/q+1;-1 |
InChI Key: | CUSWPJQKCZMDPY-UHFFFAOYSA-N |
Melting Point: | 60 °C |
Purity: | > 96.0 % (T) |
Appearance: | Orange to brown to dark purple powder to crystal |
Storage: | Store under inert gas |
MDL: | MFCD00070613 |
LogP: | 4.54390 |
GHS Hazard Statement: | H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
DE-102019127296-A1 | Precursors for the preparation of heterochinoid tetrathiafulvalene derivatives | 20191010 |
WO-2021039959-A1 | Binder for electricity storage devices improving dispersibility of conductive assistant | 20190829 |
WO-2021039960-A1 | Binder for electricity storage devices | 20190829 |
US-2020101692-A1 | High hardness articles including an optical layer and methods for making the same | 20180928 |
WO-2020069261-A1 | High hardness articles including an optical layer and methods for making the same | 20180928 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.9861853 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.9861853 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 56.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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