2-[(5'-Bromo-[2,2'-bithiophen]-5-yl)methylene]malononitrile - ≥95% , CAS No.704890-84-6

CAS: 704890-84-6 Cat. No.: B153110 Molecular Weight: 321.21 EC Number: 835-027-4
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
2-((5'-bromo-2,2'-bithiophen-5-yl)methylene)malononitrile | 2-((5'-bromo-[2,2'-bithiophen]-5-yl)methylene)malononitrile | MFCD06214120 | 2-[[5-(5-bromothiophen-2-yl)thiophen-2-yl]methylidene]propanedinitrile | B5458 | T71252 | 2-((5 inverted exclamation m
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
B153110-250mg
3

$78.90

$118.90
Save $40.00 (33.64%)
1g
B153110-1g
5

$103.90

$155.90
Save $52.00 (33.35%)
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Why this grade

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

🌡

Storage & shipping

Store at 2-8°C 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
2-((5'-bromo-2, 2'-bithiophen-5-yl)methylene)malononitrile | 2-((5'-bromo-[2, 2'-bithiophen]-5-yl)methylene)malononitrile | MFCD06214120 | 2-[[5-(5-bromothiophen-2-yl)thiophen-2-yl]methylidene]propanedinitrile | B5458 | T71252 | 2-((5 inverted exclamation m
Specifications & Purity
≥95%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥95%
Names and Identifiers
Pubchem Sid504772465
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504772465
Canonical SmilesC1=C(SC(=C1)C2=CC=C(S2)Br)C=C(C#N)C#N
IUPAC Name2-[[5-(5-bromothiophen-2-yl)thiophen-2-yl]methylidene]propanedinitrile
InChIKeyGZLRCTASJSGPHL-UHFFFAOYSA-N
INCHI1S/C12H5BrN2S2/c13-12-4-3-11(17-12)10-2-1-9(16-10)5-8(6-14)7-15/h1-5H
Isomeric SMILES C1=C(SC(=C1)C2=CC=C(S2)Br)C=C(C#N)C#N
Molecular Weight 321.21
Reaxy-Rn 9703342
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9703342&ln=

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
ClassBi- and oligothiophenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBi- and oligothiophenes
Alternative Parents 2,5-disubstituted thiophenes  Aryl bromides  Heteroaromatic compounds  Nitriles  Organopnictogen compounds  Organobromides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Bithiophene - 2,5-disubstituted thiophene - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiophene - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as bi- and oligothiophenes. These are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms.
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.

4 results found

Lot NumberCertificate TypeDateItem
F23091008Certificate of AnalysisJun 19, 2023 B153110
F23091009Certificate of AnalysisJun 19, 2023 B153110
F23091011Certificate of AnalysisJun 19, 2023 B153110
F23091013Certificate of AnalysisJun 19, 2023 B153110
Chemical and Physical Properties
Melt Point(°C)200-204℃
Molecular Weight321.200 g/mol
XLogP34.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass319.908 Da
Monoisotopic Mass319.908 Da
Topological Polar Surface Area104.000 Ų
Heavy Atom Count17
Formal Charge0
Complexity399.000
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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