5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazole-4-carbaldehyde - ≥95% , CAS No.882140-34-3

CAS: 882140-34-3 Cat. No.: C1328868 Molecular Weight: 248.71
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
50mg
C1328868-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$140.90
100mg
C1328868-100mg
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$188.90
250mg
C1328868-250mg
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$245.90
500mg
C1328868-500mg
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$409.90
1g
C1328868-1g
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$565.90
2.5g
C1328868-2.5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,054.90
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Specifications & Purity
≥95%
Storage
Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
Canonical SmilesCC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=O)Cl
IUPAC Name5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde
InChIKeyFSGGXKDCIYEBKS-UHFFFAOYSA-N
INCHI1S/C13H13ClN2O/c1-9-3-5-11(6-4-9)7-16-13(14)12(8-17)10(2)15-16/h3-6,8H,7H2,1-2H3
Molecular Weight 248.71

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
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassToluenes
Intermediate Tree Nodes Not available
Direct ParentToluenes
Alternative Parents Aryl-aldehydes  Aryl chlorides  Vinylogous halides  Vinylogous amides  Pyrazoles  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Toluene - Aryl-aldehyde - Aryl chloride - Aryl halide - Azole - Pyrazole - Vinylogous halide - Vinylogous amide - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Aldehyde - Hydrocarbon derivative - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane 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:
Chemical and Physical Properties
Molecular Weight248.710 g/mol
XLogP33.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass248.072 Da
Monoisotopic Mass248.072 Da
Topological Polar Surface Area34.900 Ų
Heavy Atom Count17
Formal Charge0
Complexity266.000
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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