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3-Chlorothiophene-2-carbonitrile - 98%, high purity , CAS No.147123-67-9

COA

Grade & Purity:

≥98%

Cas Number: 147123-67-9
Molecular Weight: 143.6
PubChem CID: 2757438

In stock

Item Number

C578733

Grouped product items
SKU	Size	Availability	Price
C578733-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$134.90
C578733-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$201.90
C578733-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$391.90

Basic Description

Synonyms	3-chlorothiophene-2-carbonitrile \| 147123-67-9 \| 3-Chloro-2-cyanothiophene \| 2-Thiophenecarbonitrile, 3-chloro- \| 2-Cyano-3-chlorothiophene \| SCHEMBL827680 \| DTXSID40373902 \| FPGDDWCTBDGPAD-UHFFFAOYSA-N \| XFA12367 \| MFCD03408005 \| AKOS000278664 \| CS-15516 \| SY238164 \| CS-0040857 \| F
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Aryl halides
    - Subclass Aryl chlorides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Aryl halides
Subclass	Aryl chlorides
Intermediate Tree Nodes	Not available
Direct Parent	Aryl chlorides
Alternative Parents	Thiophenes Heteroaromatic compounds Nitriles Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl chloride - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl chlorides. These are organic compounds containing the acyl chloride functional group.
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

IUPAC Name	3-chlorothiophene-2-carbonitrile
INCHI	InChI=1S/C5H2ClNS/c6-4-1-2-8-5(4)3-7/h1-2H
InChIKey	FPGDDWCTBDGPAD-UHFFFAOYSA-N
Smiles	C1=CSC(=C1Cl)C#N
Isomeric SMILES	C1=CSC(=C1Cl)C#N
Molecular Weight	143.6
Reaxy-Rn	6798268
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6798268&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	light sensitive
Molecular Weight	143.590 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	142.96 Da
Monoisotopic Mass	142.96 Da
Topological Polar Surface Area	52.000 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	128.000
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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