2-Chlorothioxanthen-9-one - CAS 86-39-5
Catalog: |
BB037912 |
Product Name: |
2-Chlorothioxanthen-9-one |
CAS: |
86-39-5 |
Synonyms: |
2-chloro-9-thioxanthenone; 2-chlorothioxanthen-9-one |
IUPAC Name: | 2-chlorothioxanthen-9-one |
Description: | 2-Chlorothioxanthen-9-one (CAS# 86-39-5) is a useful research chemical. |
Molecular Weight: | 246.71 |
Molecular Formula: | C13H7ClOS |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)Cl |
InChI: | InChI=1S/C13H7ClOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H |
InChI Key: | ZCDADJXRUCOCJE-UHFFFAOYSA-N |
Boiling Point: | 409.4 °C at 760 mmHg |
Melting Point: | 152 °C |
Flash Point: | 195.8 °F |
Purity: | > 98.0 % (GC) |
Density: | 1.417 g/cm3 |
Appearance: | Light yellow to yellow to green powder to crystal |
MDL: | MFCD00005067 |
LogP: | 4.06810 |
GHS Hazard Statement: | H228 (100%): Flammable solid [Danger Flammable solids] |
Precautionary Statement: | P210, P240, P241, P280, and P370+P378 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
23208609 | 20130301 | Endocrine-disrupting effects of thioxanthone photoinitiators | Toxicological sciences : an official journal of the Society of Toxicology |
21294748 | 20110501 | Solvent dependence of the photophysical properties of 2-chlorothioxanthone, the principal photoproduct of chlorprothixene | Photochemistry and photobiology |
19708200 | 20090701 | Photophysics and photochemistry of z-chlorprothixene in acetonitrile | Photochemistry and photobiology |
Complexity: | 294 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.9906137 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.9906137 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 42.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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