Methyl 3-bromo-4h-thieno[3,2-b]pyrrole-5-carboxylate - ≥95% , CAS No.1105187-36-7

CAS: 1105187-36-7 Cat. No.: M179391 Molecular Weight: 260.1
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
Methyl 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate|1105187-36-7|3-Bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic acid methyl ester|MFCD11973824|SC2771|Methyl3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate|SCHEMBL1847169|DTXSID80656847|FZMSYEZKZFUHPQ-UHFFFAOYS
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
1g
M179391-1g
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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 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
Methyl 3-bromo-4H-thieno[3, 2-b]pyrrole-5-carboxylate | 1105187-36-7 | 3-Bromo-4H-thieno[3, 2-b]pyrrole-5-carboxylic acid methyl ester | MFCD11973824 | SC2771 | Methyl3-bromo-4H-thieno[3, 2-b]pyrrole-5-carboxylate | SCHEMBL1847169 | DTXSID80656847 | FZMSYEZKZFUHPQ-UHFFFAOYS
Specifications & Purity
≥95%
Storage
Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
Canonical SmilesCOC(=O)C1=CC2=C(N1)C(=CS2)Br
IUPAC Namemethyl 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate
InChIKeyFZMSYEZKZFUHPQ-UHFFFAOYSA-N
INCHI1S/C8H6BrNO2S/c1-12-8(11)5-2-6-7(10-5)4(9)3-13-6/h2-3,10H,1H3
Isomeric SMILES COC(=O)C1=CC2=C(N1)C(=CS2)Br
Molecular Weight 260.1
Reaxy-Rn 21512297
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21512297&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
SuperclassOrganoheterocyclic compounds
ClassThienopyrroles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentThienopyrroles
Alternative Parents Pyrrole carboxylic acids and derivatives  Substituted pyrroles  Aryl bromides  Thiophenes  Methyl esters  Heteroaromatic compounds  Azacyclic compounds  Organooxygen compounds  Organonitrogen compounds  Organobromides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Pyrrole-2-carboxylic acid or derivatives - Thienopyrrole - Aryl bromide - Aryl halide - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Methyl ester - Thiophene - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as thienopyrroles. These are heterocyclic compounds containing a thiophene ring fused to a pyrrole ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom.
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 Weight260.110 g/mol
XLogP32.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass258.93 Da
Monoisotopic Mass258.93 Da
Topological Polar Surface Area70.300 Ų
Heavy Atom Count13
Formal Charge0
Complexity226.000
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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