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· · COA & SDS available for every product · Same-day shipping on in-stock items N1-(4-Fluorobenzyl)-3-nitro-1,4-phenylenediamine - ≥97%(HPLC)(T) , CAS No.150812-21-8
Synonyms
N4-[(4-Fluorophenyl)methyl]-2-nitro-1,4-benzenediamine | XTDZJOIEYRRRGJ-UHFFFAOYSA-N | HE-0235 | TQ0001 | AKOS015853505 | N-(4-Fluorobenzyl)-3-nitro-p-phenylenediamine | N1-[(4-fluorophenyl)methyl]-3-nitrobenzene-1,4-diamine | N1-(4-Fluorobenzyl)-3-nitro-
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Why this grade ≥97%(HPLC)(T) 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
N4-[(4-Fluorophenyl)methyl]-2-nitro-1, 4-benzenediamine | XTDZJOIEYRRRGJ-UHFFFAOYSA-N | HE-0235 | TQ0001 | AKOS015853505 | N-(4-Fluorobenzyl)-3-nitro-p-phenylenediamine | N1-[(4-fluorophenyl)methyl]-3-nitrobenzene-1, 4-diamine | N1-(4-Fluorobenzyl)-3-nitro-
Specifications & Purity
≥97%(HPLC)(T)
Names and Identifiers Pubchem Sid 488199772 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488199772 Canonical Smiles C1=CC(=CC=C1CNC2=CC(=C(C=C2)N)[N+](=O)[O-])F IUPAC Name 4-N-[(4-fluorophenyl)methyl]-2-nitrobenzene-1,4-diamine InChIKey XTDZJOIEYRRRGJ-UHFFFAOYSA-N INCHI 1S/C13H12FN3O2/c14-10-3-1-9(2-4-10)8-16-11-5-6-12(15)13(7-11)17(18)19/h1-7,16H,8,15H2 Isomeric SMILES C1=CC(=CC=C1CNC2=CC(=C(C=C2)N)[N+](=O)[O-])F Molecular Weight 261.26 Reaxy-Rn 22723917 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22723917&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 Phenylmethylamines Intermediate Tree Nodes Not available Direct Parent Phenylbenzamines Alternative Parents Nitrobenzenes Aniline and substituted anilines Phenylalkylamines Benzylamines Nitroaromatic compounds Secondary alkylarylamines Fluorobenzenes Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organofluorides Primary amines Organic oxides Molecular Framework Aromatic homomonocyclic compounds Substituents Phenylbenzamine - Nitrobenzene - Nitroaromatic compound - Benzylamine - Phenylalkylamine - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aralkylamine - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic zwitterion - Organofluoride - Organonitrogen compound - Organohalogen compound - Organic salt - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary amine - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine. 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 112 °C Molecular Weight 261.250 g/mol XLogP3 2.800 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 3 Exact Mass 261.091 Da Monoisotopic Mass 261.091 Da Topological Polar Surface Area 83.900 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 303.000 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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