3,5-Dimethylpyrrole-2-carboxylic acid - ≥97% , CAS No.4513-93-3

CAS: 4513-93-3 Cat. No.: D635929 Molecular Weight: 139.15 EC Number: 672-978-2 PubChem CID: 2776468
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
HMS1378C08 | SY139192 | AC-6177 | F0918-7905 | 3,5 Dimethyl-1-H-pyrrole-2-carboxylic Acid | EN300-108231 | 3,5-Dimethylpyrrole-2-carboxylic acid | 1H-PYRROLE-2-CARBOXYLIC ACID, 3,5-DIMETHYL- | XQGVQRPSTODODM-UHFFFAOYSA-N | 3,5-dimethyl-1H-pyrrole-2-carbox
Storage
Store at 2-8°C,Protected from light
Shipped In
Wet ice
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Size
Status
Price
Qty
250mg
D635929-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$12.90
1g
D635929-1g
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$35.90
5g
D635929-5g
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$128.90

$142.90
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Protected from light 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
HMS1378C08 | SY139192 | AC-6177 | F0918-7905 | 3, 5 Dimethyl-1-H-pyrrole-2-carboxylic Acid | EN300-108231 | 3, 5-Dimethylpyrrole-2-carboxylic acid | 1H-PYRROLE-2-CARBOXYLIC ACID, 3, 5-DIMETHYL- | XQGVQRPSTODODM-UHFFFAOYSA-N | 3, 5-dimethyl-1H-pyrrole-2-carbox
Specifications & Purity
≥97%
Storage
Store at 2-8°C, Protected from light
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Pubchem Sid528758007
Canonical SmilesCC1=CC(=C(N1)C(=O)O)C
IUPAC Name3,5-dimethyl-1H-pyrrole-2-carboxylic acid
InChIKeyXQGVQRPSTODODM-UHFFFAOYSA-N
INCHI1S/C7H9NO2/c1-4-3-5(2)8-6(4)7(9)10/h3,8H,1-2H3,(H,9,10)
Isomeric SMILES CC1=CC(=C(N1)C(=O)O)C
Alternate CAS 4513-93-3
PubChem CID 2776468
Molecular Weight 139.15

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.

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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
SuperclassOrganoheterocyclic compounds
ClassPyrroles
SubclassPyrrole carboxylic acids and derivatives
Intermediate Tree Nodes Pyrrole carboxylic acids
Direct ParentPyrrole 2-carboxylic acids
Alternative Parents Substituted pyrroles  Heteroaromatic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Pyrrole-2-carboxylic acid - Substituted pyrrole - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as pyrrole 2-carboxylic acids. These are pyrrole carboxylic acids where the carboxyl group is attached at position C2.
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.

3 results found

Lot NumberCertificate TypeDateItem
A2627448Certificate of AnalysisNov 27, 2025 D635929
A2627450Certificate of AnalysisNov 27, 2025 D635929
B2606207Certificate of AnalysisNov 27, 2025 D635929
Chemical and Physical Properties
SensitivityLight sensitive
Molecular Weight139.150 g/mol
XLogP31.300
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass139.063 Da
Monoisotopic Mass139.063 Da
Topological Polar Surface Area53.100 Ų
Heavy Atom Count10
Formal Charge0
Complexity147.000
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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