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· · COA & SDS available for every product · Same-day shipping on in-stock items 1H-Imidazole, 4,5-dihydro-2-(((4-nitrophenyl)methyl)thio)-, monohydrobromide , CAS No.63906-95-6
Synonyms
2-[(4-nitrobenzyl)thio]-4,5-dihydro-1H-imidazole hydrobromide | 1H-Imidazole, 4,5-dihydro-2-(((4-nitrophenyl)methyl)thio)-, monohydrobromide | 1H-Imidazole,4,5-dihydro-2-[[(4-nitrophenyl)methyl]thio]-, hydrobromide (1:1) | 2-((4-nitrobenzyl)thio)-4,5-dihy
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
2-[(4-nitrobenzyl)thio]-4, 5-dihydro-1H-imidazole hydrobromide | 1H-Imidazole, 4, 5-dihydro-2-(((4-nitrophenyl)methyl)thio)-, monohydrobromide | 1H-Imidazole, 4, 5-dihydro-2-[[(4-nitrophenyl)methyl]thio]-, hydrobromide (1:1) | 2-((4-nitrobenzyl)thio)-4, 5-dihy
Names and Identifiers Canonical Smiles C1CN=C(N1)SCC2=CC=C(C=C2)[N+](=O)[O-].Br IUPAC Name 2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide InChIKey QQLGVYRAHCANBB-UHFFFAOYSA-N INCHI 1S/C10H11N3O2S.BrH/c14-13(15)9-3-1-8(2-4-9)7-16-10-11-5-6-12-10;/h1-4H,5-7H2,(H,11,12);1H Isomeric SMILES C1CN=C(N1)SCC2=CC=C(C=C2)[N+](=O)[O-].Br PubChem CID 2936405 Molecular Weight 318.19
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Nitrobenzenes Intermediate Tree Nodes Not available Direct Parent Nitrobenzenes Alternative Parents Nitroaromatic compounds Imidazolines Isothioureas Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Hydrobromides Molecular Framework Aromatic heteromonocyclic compounds Substituents Nitrobenzene - Nitroaromatic compound - 2-imidazoline - Isothiourea - C-nitro compound - Organic nitro compound - Organic oxoazanium - Carboximidamide - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organonitrogen compound - Hydrobromide - Hydrocarbon derivative - Organosulfur compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 318.190 g/mol XLogP3 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 316.983 Da Monoisotopic Mass 316.983 Da Topological Polar Surface Area 95.500 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 282.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 2
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