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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-Fluoro-4-(piperazin-1-yl)benzonitrile - ≥95% , CAS No.182181-38-0
Synonyms
J-512506 | DS-12544 | HMS2186G14 | Oprea1_459199 | SCHEMBL232086 | SMR000012408 | 3-Fluoro-4-piperazinylbenzenecarbonitrile | AC-2591 | FT-0694628 | Benzonitrile, 3-fluoro-4-(1-piperazinyl)- | A880923 | AKOS003594743 | EN300-59712 | MLS000068338 | WK7 | S
Storage
Store at 2-8°C,Protected from light,Desiccated
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Protected from light,Desiccated Ships Wet ice 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
J-512506 | DS-12544 | HMS2186G14 | Oprea1_459199 | SCHEMBL232086 | SMR000012408 | 3-Fluoro-4-piperazinylbenzenecarbonitrile | AC-2591 | FT-0694628 | Benzonitrile, 3-fluoro-4-(1-piperazinyl)- | A880923 | AKOS003594743 | EN300-59712 | MLS000068338 | WK7 | S
Specifications & Purity
≥95%
Storage
Store at 2-8°C, Protected from light, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles C1CN(CCN1)C2=C(C=C(C=C2)C#N)F IUPAC Name 3-fluoro-4-piperazin-1-ylbenzonitrile InChIKey VMOBEAUQUPPPON-UHFFFAOYSA-N INCHI 1S/C11H12FN3/c12-10-7-9(8-13)1-2-11(10)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2 Isomeric SMILES C1CN(CCN1)C2=C(C=C(C=C2)C#N)F Molecular Weight 205.23 Reaxy-Rn 11403482 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11403482&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 Organoheterocyclic compounds Class Diazinanes Subclass Piperazines Intermediate Tree Nodes Not available Direct Parent Phenylpiperazines Alternative Parents N-arylpiperazines Dialkylarylamines Benzonitriles Aniline and substituted anilines Fluorobenzenes Aryl fluorides Nitriles Dialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents N-arylpiperazine - Phenylpiperazine - Benzonitrile - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Azacycle - Secondary aliphatic amine - Secondary amine - Carbonitrile - Nitrile - Organic nitrogen compound - Amine - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl 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(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 205.230 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 205.102 Da Monoisotopic Mass 205.102 Da Topological Polar Surface Area 39.100 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 254.000 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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