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3-Cyanothiophene - >98.0%(GC), high purity , CAS No.1641-09-4

1 Citations

COA

Grade & Purity:

≥98%(GC)

Cas Number: 1641-09-4
Molecular Weight: 109.15
Beilstein Registry Number: 18(5)6,200
MDL number: MFCD00151852
PubChem CID: 74231
PubChem SID: 504754787

In stock

Item Number

C153346

Grouped product items
SKU	Size	Availability	Price
C153346-1g	1g	3	$9.90
C153346-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$31.90
C153346-10g	10g	1	$48.90
C153346-25g	25g	2	$93.90
C153346-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$337.90

View related series

Five-Membered Heterocyclic Compounds (2064) thiophenes (401)

Basic Description

Synonyms	3-Cyanothiophene \| SCHEMBL154729 \| PS-9267 \| Thiophene-3-nitrile \| 1-(2-tert-butylcyclohexoxy)butan-2-ol;3-Thiophenecarbonitrile \| Thiophene-3-carbonitrile \| EINECS 216-687-7 \| EN300-43587 \| F0001-0595 \| SY017477 \| Z57900046 \| 3-Thiophene acetonitrile \| 3
Specifications & Purity	≥98%(GC)
Storage Temp	Argon charged
Shipped In	Normal
Product Description	3-Thiophenecarbonitrile can be used to synthesize the following: 2,4-dinaphthyl-3-cyanothiophene via reaction with iodonaphthalene 2,5-bis-tri(n-butyl)tin-3-cyanothiophene, a building block for the synthesis of new alternating (3-alkyl/3-cyano)thiophene copolymers

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Heteroaromatic compounds

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Heteroaromatic compounds
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Heteroaromatic compounds
Alternative Parents	Thiophenes Nitriles Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Heteroaromatic compound - Thiophene - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
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

Pubchem Sid	504754787
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754787
IUPAC Name	thiophene-3-carbonitrile
INCHI	InChI=1S/C5H3NS/c6-3-5-1-2-7-4-5/h1-2,4H
InChIKey	GSXCEVHRIVLFJV-UHFFFAOYSA-N
Smiles	C1=CSC=C1C#N
Isomeric SMILES	C1=CSC=C1C#N
WGK Germany	3
Molecular Weight	109.15
Beilstein	18(5)6,200
Reaxy-Rn	107104
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107104&ln=

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.

9 results found

Lot Number	Certificate Type	Date	Item
D2407147	Certificate of Analysis	Mar 20, 2024	C153346
D2407148	Certificate of Analysis	Mar 20, 2024	C153346
J1824074	Certificate of Analysis	Aug 15, 2022	C153346
J1824071	Certificate of Analysis	Aug 15, 2022	C153346
A2213523	Certificate of Analysis	Dec 16, 2021	C153346
A2213513	Certificate of Analysis	Dec 16, 2021	C153346
A2213534	Certificate of Analysis	Dec 16, 2021	C153346
A2213535	Certificate of Analysis	Dec 16, 2021	C153346
A2213488	Certificate of Analysis	Dec 16, 2021	C153346

Chemical and Physical Properties

Sensitivity	Moisture Sensitive
Refractive Index	1.5600 to 1.5650
Flash Point(°F)	185 °F
Flash Point(°C)	85 °C
Boil Point(°C)	205°C
Molecular Weight	109.150 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	108.999 Da
Monoisotopic Mass	108.999 Da
Topological Polar Surface Area	52.000 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	102.000
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

Citations of This Product

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