2-chloro-5-methyl-4-nitropyridine - ≥97% , CAS No.97944-45-1

CAS: 97944-45-1 Cat. No.: C178588 Molecular Weight: 172.57 EC Number: 977-510-3
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
SY069129 | AKOS015999228 | SCHEMBL2669593 | AS-40170 | PB15420 | AC-25000 | Pyridine, 2-chloro-5-methyl-4-nitro- | DTXSID90540248 | AMY34741 | 2-Chloro-5-methyl-4-nitropyridine | XDA94445 | FT-0729771 | MFCD19690032
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
C178588-250mg
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1g
C178588-1g
1

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5g
C178588-5g
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Why this grade

≥97% 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
SY069129 | AKOS015999228 | SCHEMBL2669593 | AS-40170 | PB15420 | AC-25000 | Pyridine, 2-chloro-5-methyl-4-nitro- | DTXSID90540248 | AMY34741 | 2-Chloro-5-methyl-4-nitropyridine | XDA94445 | FT-0729771 | MFCD19690032
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid504767399
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504767399
Canonical SmilesCC1=CN=C(C=C1[N+](=O)[O-])Cl
IUPAC Name2-chloro-5-methyl-4-nitropyridine
InChIKeyPEGDFBBVKXPIME-UHFFFAOYSA-N
INCHI1S/C6H5ClN2O2/c1-4-3-8-6(7)2-5(4)9(10)11/h2-3H,1H3
Isomeric SMILES CC1=CN=C(C=C1[N+](=O)[O-])Cl
Molecular Weight 172.57
Reaxy-Rn 34926798
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34926798&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic 1,3-dipolar compounds
ClassAllyl-type 1,3-dipolar organic compounds
SubclassOrganic nitro compounds
Intermediate Tree Nodes C-nitro compounds
Direct ParentNitroaromatic compounds
Alternative Parents Methylpyridines  2-halopyridines  Aryl chlorides  Heteroaromatic compounds  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Azacyclic compounds  Organonitrogen compounds  Organochlorides  Organic salts  Organic oxides  Hydrocarbon derivatives  Organic cations  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Nitroaromatic compound - 2-halopyridine - Methylpyridine - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organic oxide - Organohalogen compound - Organic cation - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot NumberCertificate TypeDateItem
I2504780Certificate of AnalysisAug 20, 2025 C178588
I2504781Certificate of AnalysisAug 20, 2025 C178588
I2516648Certificate of AnalysisAug 20, 2025 C178588
K2327428Certificate of AnalysisNov 17, 2023 C178588
K2327477Certificate of AnalysisNov 17, 2023 C178588
Chemical and Physical Properties
Molecular Weight172.570 g/mol
XLogP32.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass172.004 Da
Monoisotopic Mass172.004 Da
Topological Polar Surface Area58.700 Ų
Heavy Atom Count11
Formal Charge0
Complexity159.000
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
Reviews

Customer Reviews

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