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2-Cyano-2-propyl 4-cyanobenzodithioate - 98%, high purity , CAS No.851729-48-1

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 851729-48-1
Molecular Weight: 246.35
MDL number: MFCD18252680
PubChem CID: 71310966

In stock

Item Number

C473747

Grouped product items
SKU	Size	Availability	Price	Qty
C473747-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$82.90
C473747-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$199.90

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Basic Description

Synonyms	2-Cyanoprop-2-yl 4-cyanodithiobenzoate \| 4-Cyanobenzenecarbodithioic acid 1-cyano-1-methylethyl ester
Specifications & Purity	≥98%
Storage Temp	Protected from light
Shipped In	Normal
Product Description	Description Need help choosing the correct RAFT Agent? Please consult the RAFT Agent to Monomercompatibility table.RAFT agent for controlled radical polymerization; especially suited for the polymerization of methyl methacrylate and styrene monomers. Chain Transfer Agent (CTA)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzonitriles

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzonitriles
Intermediate Tree Nodes	Not available
Direct Parent	Benzonitriles
Alternative Parents	Carbodithioic acid esters Sulfenyl compounds Nitriles Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzonitrile - Carbodithioic ester - Sulfenyl compound - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
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	2-cyanopropan-2-yl 4-cyanobenzenecarbodithioate
INCHI	InChI=1S/C12H10N2S2/c1-12(2,8-14)16-11(15)10-5-3-9(7-13)4-6-10/h3-6H,1-2H3
InChIKey	GLQSCQVGVPUIPC-UHFFFAOYSA-N
Smiles	CC(C)(C#N)SC(=S)C1=CC=C(C=C1)C#N
Isomeric SMILES	CC(C)(C#N)SC(=S)C1=CC=C(C=C1)C#N
Molecular Weight	246.35
Reaxy-Rn	10662433
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10662433&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
Flash Point(°F)	Not applicable
Flash Point(°C)	Not applicable
Melt Point(°C)	122-127℃
Molecular Weight	246.400 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	246.029 Da
Monoisotopic Mass	246.029 Da
Topological Polar Surface Area	105.000 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	361.000
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

Documents & Articles

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