1-(5-chloro-2-nitrophenyl)piperidine - ≥95% , CAS No.53013-43-7

CAS: 53013-43-7 Cat. No.: P708530 Molecular Weight: 240.69 PubChem CID: 3096079
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
P708530-5mg
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$216.90
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Why this grade

≥95% 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

Specifications & Purity
≥95%
Storage
Room temperature
Purity
≥95%
Names and Identifiers
Canonical SmilesC1CCN(CC1)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]
IUPAC Name1-(5-chloro-2-nitrophenyl)piperidine
InChIKeyMTVDYRBCOYNKQA-UHFFFAOYSA-N
INCHI1S/C11H13ClN2O2/c12-9-4-5-10(14(15)16)11(8-9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
Isomeric SMILES C1CCN(CC1)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]
PubChem CID 3096079
Molecular Weight 240.69

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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassPiperidines
SubclassPhenylpiperidines
Intermediate Tree Nodes Not available
Direct ParentPhenylpiperidines
Alternative Parents Nitrobenzenes  Nitroaromatic compounds  Dialkylarylamines  Aniline and substituted anilines  Chlorobenzenes  Aryl chlorides  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Azacyclic compounds  Organochlorides  Organic salts  Organic oxides  Hydrocarbon derivatives  Organic cations  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenylpiperidine - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Tertiary amine - Organic 1,3-dipolar compound - Organic oxoazanium - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAPGEF4 Tchem Rap guanine nucleotide exchange factor 4 (11476 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Melt Point(°C)69-70°
Molecular Weight240.680 g/mol
XLogP33.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass240.067 Da
Monoisotopic Mass240.067 Da
Topological Polar Surface Area49.100 Ų
Heavy Atom Count16
Formal Charge0
Complexity251.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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