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2-((5-Bromothiophen-2-yl)methylene)malononitrile - ≥98%, high purity , CAS No.81020-78-2

COA

Grade & Purity:

≥98%

Cas Number: 81020-78-2
Molecular Weight: 239.09
MDL number: MFCD00175184
PubChem CID: 708816

In stock

Item Number

M768771

Grouped product items
SKU	Size	Availability	Price	Qty
M768771-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$65.90
M768771-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$129.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thiophenes
    - Subclass 2,5-disubstituted thiophenes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thiophenes
Subclass	2,5-disubstituted thiophenes
Intermediate Tree Nodes	Not available
Direct Parent	2,5-disubstituted thiophenes
Alternative Parents	Aryl bromides Heteroaromatic compounds Nitriles Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2,5-disubstituted thiophene - Aryl halide - Aryl bromide - Heteroaromatic compound - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2,5-disubstituted thiophenes. These are organic compounds containing a thiophene that is disubstituted at the C-2, and C5-positions.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

INCHI	InChI=1S/C8H3BrN2S/c9-8-2-1-7(12-8)3-6(4-10)5-11/h1-3H
InChIKey	GFTOPUBXWAVPQJ-UHFFFAOYSA-N
Smiles	C1=C(SC(=C1)Br)C=C(C#N)C#N
Isomeric SMILES	C1=C(SC(=C1)Br)C=C(C#N)C#N
Molecular Weight	239.09

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	358.6±42.0°C(Predicted)
Melt Point(°C)	157-158 °C
Molecular Weight	239.090 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	237.92 Da
Monoisotopic Mass	237.92 Da
Topological Polar Surface Area	75.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	275.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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