Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C7H7Cl |
| Molecular Weight | 126.583 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC=C(Cl)C=C1
InChI
InChIKey=NPDACUSDTOMAMK-UHFFFAOYSA-N
InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
| Molecular Formula | C7H7Cl |
| Molecular Weight | 126.583 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Synthesis and X-ray structure determination of highly active Pd(II), Pd(I), and Pd(0) complexes of di(tert-butyl)neopentylphosphine (DTBNpP) in the arylation of amines and ketones. | 2010-10-01 |
|
| In vitro metabolism of indomethacin morpholinylamide (BML-190), an inverse agonist for the peripheral cannabinoid receptor (CB(2)) in rat liver microsomes. | 2010-09-11 |
|
| Cavity-shaped ligands: calix[4]arene-based monophosphanes for fast Suzuki-Miyaura cross-coupling. | 2010-08-09 |
|
| N-(4-Chloro-benzyl-idene)-3,4-dimethyl-isoxazol-5-amine. | 2010-07-31 |
|
| Synthesis and pharmacological activity of potential cocaine antagonists. 2. Structure-activity relationship studies of piperidine ring-substituted methylphenidate analogs. | 2010-07 |
|
| 4-(5-Chloro-2-methyl-phen-yl)-1-[2-oxo-5-(trifluoro-meth-oxy)indolin-3-yl-idene]thio-semicarbazide. | 2010-04-24 |
|
| Discovery of 4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamides as selective, orally active inhibitors of protein kinase B (Akt). | 2010-03-11 |
|
| (E)-4-Chloro-benzyl 3-(3-nitro-benzyl-idene)dithio-carbazate. | 2009-11-14 |
|
| Characterization of new PPARgamma agonists: benzimidazole derivatives - the importance of position 2. | 2009-07 |
|
| Mortality among former Love Canal residents. | 2009-02 |
|
| 2-[(4-Chloro-benz-yl)carbonyl-meth-yl]benzoic acid. | 2008-10-25 |
|
| Oxidation of p-chlorotoluene and cyclohexene catalysed by polymer-anchored oxovanadium(IV) and copper(II) complexes of amino acid derived tridentate ligands. | 2008-08-28 |
|
| The kinetics of competing multiple-barrier unimolecular dissociations of o-, m-, and p-chlorotoluene radical cations. | 2008-07-31 |
|
| Ensemble-based virtual screening reveals potential novel antiviral compounds for avian influenza neuraminidase. | 2008-07-10 |
|
| Formation of C7H7(+) from benzyl chloride and chlorotoluene molecular ions: a theoretical study. | 2008-07-10 |
|
| alpha-arylation of ketones using highly active, air-stable (DtBPF)PdX2 (X = Cl, Br) catalysts. | 2007-12-20 |
|
| Theoretical investigation on o-, m-, and p-chlorotoluene photodissociations at 193 and 266 nm. | 2007-07-28 |
|
| Cloning of the Arthrobacter sp. FG1 dehalogenase genes and construction of hybrid pathways in Pseudomonas putida strains. | 2007-07 |
|
| The vibrational spectra, assignments and ab initio/DFT analysis for 3-chloro, 4-chloro and 5-chloro-2-methylphenyl isocyanates. | 2007-05 |
|
| Genesis of coordinatively unsaturated palladium complexes dissolved from solid precursors during Heck coupling reactions and their role as catalytically active species. | 2007-03-19 |
|
| Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. | 2006-11 |
|
| Multireference calculations of the fluorescence, phosphorescence and photodissociation of p-chlorotoluene. | 2005-12-07 |
|
| Determination of the sulphoxides and sulphones of three simple sulphides in rat urine: effects of phenobarbitone, beta-naphthoflavone and methimazole. | 2005-01 |
|
| Preparation and characterization of polydimethylsiloxane/poly(vinylalcohol) coated solid phase microextraction fibers using sol-gel technology. | 2004-11-12 |
|
| Effects of four chlorobenzenes on serum sex steroids and hepatic microsome enzyme activities in crucian carp, Carassius auratus. | 2004-10 |
|
| New series of morpholine and 1,4-oxazepane derivatives as dopamine D4 receptor ligands: synthesis and 3D-QSAR model. | 2004-06-03 |
|
| Fungal cytochrome P450s catalyzing hydroxylation of substituted toluenes to form their hydroxymethyl derivatives. | 2004-05-15 |
|
| Insights into the origin of high activity and stability of catalysts derived from bulky, electron-rich monophosphinobiaryl ligands in the Pd-catalyzed C-N bond formation. | 2003-11-19 |
|
| Oxidation of substituted toluenes with molecular oxygen in the presence of N,N',N' '-trihydroxyisocyanuric acid as a key catalyst. | 2003-08-22 |
|
| Synthetic, structural, and mechanistic studies on the oxidative addition of aromatic chlorides to a palladium (N-heterocyclic carbene) complex: relevance to catalytic amination. | 2003-08-20 |
|
| Homolytic cleavages in pyridinium ions, an excited state process. | 2003-07 |
|
| Involvement of cytochrome P450 and the flavin-containing monooxygenase(s) in the sulphoxidation of simple sulphides in human liver microsomes. | 2003-06-06 |
|
| Synthesis of monodentate ferrocenylphosphines and their application to the palladium-catalyzed Suzuki reaction of aryl chlorides. | 2003-04-04 |
|
| Sulphoxidation of ethyl methyl sulphide, 4-chlorophenyl methyl sulphide and diphenyl sulphide by purified pig liver flavin-containing monooxygenase. | 2003-01 |
|
| Aqueous hydroxide as a base for palladium-catalyzed amination of aryl chlorides and bromides. | 2002-09-06 |
|
| Analysis of vibrational spectra of chlorotoluene based on density function theory calculations. | 2002-06 |
|
| Simultaneous selective detection of multiple quantum spectra. | 2002-04 |
|
| HPLC analysis of 4-chlorophenyl methyl sulphide and diphenyl sulphide and their corresponding sulphoxides and sulphones in rat liver microsomes. | 2002-01-01 |
|
| Biotransformations catalyzed by cloned p-cymene monooxygenase from Pseudomonas putida F1. | 2001-04 |
|
| Engineering the active site of ascorbate peroxidase. | 2001-01 |
Patents
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:47:51 GMT 2025
by
admin
on
Mon Mar 31 18:47:51 GMT 2025
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| Record UNII |
Q8R236H42N
|
| Record Status |
Validated (UNII)
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| Record Version |
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Q8R236H42N
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