Indan - CAS 496-11-7
Catalog: |
BB026751 |
Product Name: |
Indan |
CAS: |
496-11-7 |
Synonyms: |
2,3-dihydro-1H-indene |
IUPAC Name: | 2,3-dihydro-1H-indene |
Description: | Indan (CAS# 496-11-7) is a phenyl-containing compound that naturally occurs in the rhyzomes of Acorus calamus, a plant that is commonly used as an herbal remedy for gastrointestinal disorders such as diarrhea. Indane is also a pollutant commonly found in lakes and streams. |
Molecular Weight: | 118.18 |
Molecular Formula: | C9H10 |
Canonical SMILES: | C1CC2=CC=CC=C2C1 |
InChI: | InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2 |
InChI Key: | PQNFLJBBNBOBRQ-UHFFFAOYSA-N |
Boiling Point: | 176 °C (lit.) |
Purity: | 97 % |
Density: | 0.965 g/cm3 |
Appearance: | Colourless to faintly yellow liquid |
MDL: | MFCD00003795 |
LogP: | 2.17530 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]; H304 (91.43%): May be fatal if swallowed and enters airways [Danger Aspiration hazard] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-110016352-A | A kind of trans- polymer dispersion liquid crystal material, liquid crystal light valve and its application | 20180109 |
CN-106520390-A | Special washing agent for wool fabric | 20161014 |
CN-109843858-A | Certain chemical entities, composition and method | 20160815 |
KR-20170131112-A | Novel 1,2-dihydroindeno[2,1-b]indole compound and organic electroluminescent device comprising the same | 20160520 |
CN-109195973-A | Diamides macrocyclic compounds with factor XI, plasma thromboplastin antecedent A inhibitory activity | 20160302 |
PMID | Publication Date | Title | Journal |
22791215 | 20121001 | Bipyrimidine ruthenium(II) arene complexes: structure, reactivity and cytotoxicity | Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry |
22824250 | 20121001 | Odor-structure relationship studies of tetralin and indan musks | Chemical senses |
23125700 | 20121001 | 4'-(3-Bromo-phen-yl)-1'-methyl-dispiro-[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione | Acta crystallographica. Section E, Structure reports online |
22950514 | 20120926 | Intramolecular Diels-Alder reactions of cycloalkenones: translation of high endo selectivity to trans junctions | Journal of the American Chemical Society |
22814352 | 20120914 | Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation | Organic & biomolecular chemistry |
Complexity: | 84.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 118.078250319 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 118.078250319 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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