3,5-Bis(trifluoromethyl)benzenethiol - CAS 130783-02-7
Catalog: |
BB007169 |
Product Name: |
3,5-Bis(trifluoromethyl)benzenethiol |
CAS: |
130783-02-7 |
Synonyms: |
3,5-bis(trifluoromethyl)benzenethiol |
IUPAC Name: | 3,5-bis(trifluoromethyl)benzenethiol |
Description: | 3,5-Bis(trifluoromethyl)benzenethiol (CAS# 130783-02-7) is a useful research chemical. |
Molecular Weight: | 246.17 |
Molecular Formula: | C8H4F6S |
Canonical SMILES: | C1=C(C=C(C=C1C(F)(F)F)S)C(F)(F)F |
InChI: | InChI=1S/C8H4F6S/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3,15H |
InChI Key: | KCAQWPZIMLLEAF-UHFFFAOYSA-N |
Boiling Point: | 167 °C |
Purity: | 95 % |
Density: | 1.46 g/cm3 |
Appearance: | Colorless to light yellow liquid |
MDL: | MFCD00042273 |
LogP: | 4.01290 |
GHS Hazard Statement: | H315 (97.87%): 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 |
CN-112962112-A | Synthesis method of N-arylthio phthalimide compound | 20210204 |
CN-111969249-A | Lithium-sulfur battery electrolyte containing negative electrode protection additive | 20200730 |
CN-112225743-A | Quinolinyl near-infrared rhodamine fluorescent dye, ratiometric fluorescent probe, and synthesis and application thereof | 20200723 |
CN-112225743-B | Quinolinyl near-infrared rhodamine fluorescent dye, ratiometric fluorescent probe, and synthesis and application thereof | 20200723 |
JP-2021155706-A | Contact member, connector, composition, manufacturing method of contact member | 20200327 |
PMID | Publication Date | Title | Journal |
19703365 | 20090901 | Reduction of Staphylococcus aureus and Pseudomonas aeruginosa colonisation on PVC through covalent surface attachment of fluorinated thiols | The Journal of pharmacy and pharmacology |
16050703 | 20050805 | 3,5-bis(trifluoromethyl)phenyl sulfones in the direct Julia-Kocienski olefination | The Journal of organic chemistry |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.99379027 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.99379027 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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