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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-Nitropyrene - ≥98% , CAS No.5522-43-0
Synonyms
NSC 81340 | D71007 | DTXSID6020983 | EINECS 226-868-2 | BIDD:ER0532 | CHEBI:34107 | NCIOpen2_004479 | TD1665I8Q4 | MFCD00004138 | Pyrene, 1-nitro- | FT-0658253 | N0419 | 1-Nitropyrene, 99% | Pyrene, 1-nitro-; 1-Nitropyrene; 3-Nitropyrene; NSC 81340 | DTXC
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal 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 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
NSC 81340 | D71007 | DTXSID6020983 | EINECS 226-868-2 | BIDD:ER0532 | CHEBI:34107 | NCIOpen2_004479 | TD1665I8Q4 | MFCD00004138 | Pyrene, 1-nitro- | FT-0658253 | N0419 | 1-Nitropyrene, 99% | Pyrene, 1-nitro-; 1-Nitropyrene; 3-Nitropyrene; NSC 81340 | DTXC
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Potent mutagen, carcinogen, environmental pollutant.
Names and Identifiers Pubchem Sid 488182720 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488182720 Canonical Smiles C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)[N+](=O)[O-] IUPAC Name 1-nitropyrene InChIKey ALRLPDGCPYIVHP-UHFFFAOYSA-N INCHI 1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H Isomeric SMILES C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)[N+](=O)[O-] RTECS UR2480000 UN Number 2811 Packing Group I Molecular Weight 247.25 Beilstein 5694 Reaxy-Rn 1882811 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1882811&ln=
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 Pyrenes Subclass Not available Intermediate Tree Nodes Not available Direct Parent Pyrenes Alternative Parents Phenanthrenes and derivatives Nitronaphthalenes Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homopolycyclic compounds Substituents Pyrene - Phenanthrene - 1-nitronaphthalene - 2-nitronaphthalene - Naphthalene - Nitroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic homopolycyclic compound Description This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system. External Descriptors nitroarene 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 Solubility Insoluble in water; Degree of Solubility in water: 0.0118 mg/l 25 °C; Very soluble in Ether; Soluble in Toluene,Tetrahydrofuran,Ethanol,Benzene Melt Point(°C) 153-155°C Molecular Weight 247.250 g/mol XLogP3 5.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 0 Exact Mass 247.063 Da Monoisotopic Mass 247.063 Da Topological Polar Surface Area 45.800 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 377.000 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 1
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