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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-Nitro-1,3-phenylenediamine - ≥95%(HPLC) , CAS No.5131-58-8
Synonyms
3-amino-4-nitroaniline | STK387116 | W-105907 | HSDB 6243 | AC-12052 | NSC9575 | NSC-9575 | D0104 | D89594 | SCHEMBL121896 | 0D5U5EW62Z | 4-Nitro-1,3-fenylendiamin | DTXCID005770 | InChI=1/C6H7N3O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,7-8H | 4-NITRO-M-PHENYLE
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Why this grade ≥95%(HPLC) 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
3-amino-4-nitroaniline | STK387116 | W-105907 | HSDB 6243 | AC-12052 | NSC9575 | NSC-9575 | D0104 | D89594 | SCHEMBL121896 | 0D5U5EW62Z | 4-Nitro-1, 3-fenylendiamin | DTXCID005770 | InChI=1/C6H7N3O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H, 7-8H | 4-NITRO-M-PHENYLE
Specifications & Purity
≥95%(HPLC)
Names and Identifiers Pubchem Sid 488182674 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488182674 Canonical Smiles C1=CC(=C(C=C1N)N)[N+](=O)[O-] IUPAC Name 4-nitrobenzene-1,3-diamine InChIKey DPIZKMGPXNXSGL-UHFFFAOYSA-N INCHI 1S/C6H7N3O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,7-8H2 Isomeric SMILES C1=CC(=C(C=C1N)N)[N+](=O)[O-] RTECS ST2910000 Molecular Weight 153.14 Reaxy-Rn 2094904 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2094904&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 Benzene and substituted derivatives Subclass Nitrobenzenes Intermediate Tree Nodes Not available Direct Parent Nitrobenzenes Alternative Parents Nitroaromatic compounds Aniline and substituted anilines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organic zwitterion - Primary amine - Organonitrogen compound - Amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic 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 Melt Point(°C) 160 °C Molecular Weight 153.140 g/mol XLogP3 0.500 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 0 Exact Mass 153.054 Da Monoisotopic Mass 153.054 Da Topological Polar Surface Area 97.900 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 156.000 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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