5-Chloroindole - CAS 17422-32-1
Catalog: |
BB012995 |
Product Name: |
5-Chloroindole |
CAS: |
17422-32-1 |
Synonyms: |
1H-Indole, 5-chloro-; Indole, 5-chloro-; NSC 89562 |
IUPAC Name: | 5-chloro-1H-indole |
Description: | 5-Chloroindole (CAS# 17422-32-1) is a halo-substituted indole used in the preparation of neurologically active compounds such as atypical antipsychotic agents. 5-Chloroindole has been shown to depress serotonin levels in the brainstem and telencephalon. |
Molecular Weight: | 151.59 |
Molecular Formula: | C8H6ClN |
Canonical SMILES: | C1=CC2=C(C=CN2)C=C1Cl |
InChI: | InChI=1S/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H |
InChI Key: | MYTGFBZJLDLWQG-UHFFFAOYSA-N |
Boiling Point: | 293.0±13.0°C at 760 mmHg |
Melting Point: | 69-70°C |
Density: | 1.331±0.06 g/cm3 |
MDL: | MFCD00005672 |
LogP: | 2.82130 |
GHS Hazard Statement: | H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22241067 | 20120101 | Peculiarity of methoxy group-substituted phenylhydrazones in Fischer indole synthesis | Proceedings of the Japan Academy. Series B, Physical and biological sciences |
21587508 | 20100908 | 5-Chloro-3-[(E)-1,2-diphenyl-ethen-yl]-1H-indole | Acta crystallographica. Section E, Structure reports online |
20824064 | 20100902 | Identifying regulators for EAG1 channels with a novel electrophysiology and tryptophan fluorescence based screen | PloS one |
19618939 | 20090813 | Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography | Journal of medicinal chemistry |
16554713 | 20060201 | Reductive dechlorination of polychlorinated biphenyls as affected by natural halogenated aromatic compounds | Journal of microbiology (Seoul, Korea) |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.0188769 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.0188769 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 15.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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