2-Cyano-2-propyl 4-cyanobenzodithioate, 98% (… 851729-48-1

About 2-Cyano-2-propyl 4-cyanobenzodithioate, 98% (HPLC)

2-Cyano-2-propyl 4-cyanobenzodithioate is an organosulfur compound carrying the CAS registry number 851729-48-1 with a typical assay of 98%. Its molecular formula is C12H10N2S2 and its molecular weight is 246.4 g/mol. Its systematic (IUPAC) name is 2-cyanopropan-2-yl 4-cyanobenzenecarbodithioate. Common synonyms include 2-Cyanoprop-2-yl 4-cyanodithiobenzoate and 2-Cyanopropan-2-yl 4-cyanobenzodithioate.

In its supplied form it is light brown to dark brown and light purple to dark purple powder or crystals. Literature values give a melting point of 122-127 °C. Store sealed in a dry, well-ventilated location away from incompatible materials. Under GHS it is labelled “Warning”, so handle it with suitable PPE and consult the SDS.

It is commonly used for organic synthesis and API synthesis. It is used across pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 1 g and 5 g, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

Organic synthesis
API synthesis

Industries

Grade guides

Specifications & identifiers

Chemical identifiers
Product name	2-Cyano-2-propyl 4-cyanobenzodithioate, 98% (HPLC)
Catalogue No.	VQ-010767
CAS Number	851729-48-1
IUPAC name	2-cyanopropan-2-yl 4-cyanobenzenecarbodithioate
Molecular formula	C₁₂H₁₀N₂S₂
Molecular weight	246.4 g/mol
Exact mass	246.0285
Purity / assay	98%
HSN code	29420090
InChIKey	GLQSCQVGVPUIPC-UHFFFAOYSA-N
SMILES	CC(C)(C#N)SC(=S)C1=CC=C(C=C1)C#N
PubChem CID	71310966

Physical properties
Physical form	Crystalline
Appearance	Light brown to dark brown and light purple to dark purple powder or crystals
Melting point	122-127 °C
LogP (XLogP3)	3
H-bond donors / acceptors	0 / 4
TPSA	105 Å²
Synonyms	2-Cyanoprop-2-yl 4-cyanodithiobenzoate, 4-Cyanobenzenecarbodithioic acid 1-cyano-1-methylethyl ester, 2-Cyanopropan-2-yl 4-cyanobenzodithioate, 2-Cyanopropan-2-yl 4-cyanobenzene-1-carbodithioate, 1-cyano-1-methylethyl 4-cyanobenzene-1-carbodithioate, 2-cyanoprop-2-yl-4-cyanodithiobenzoate, (1-cyano-1-methyl-ethyl) 4-cyanobenzenecarbodithioate, 2-Cyano-2-propyl 4-cyanobenzodithioate, 98% (HPLC)

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H317May cause an allergic skin reaction

Precautionary statements: P261, P272, P280, P302 + P352, P321, P333 + P317, P362 + P364, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of 2-Cyano-2-propyl 4-cyanobenzodithioate, 98% (HPLC)?

The CAS Registry Number of 2-Cyano-2-propyl 4-cyanobenzodithioate, 98% (HPLC) is 851729-48-1. It is also known as 2-Cyanoprop-2-yl 4-cyanodithiobenzoate, 4-Cyanobenzenecarbodithioic acid 1-cyano-1-methylethyl ester, 2-Cyanopropan-2-yl 4-cyanobenzodithioate.

What is the molecular formula and molecular weight of 2-Cyano-2-propyl 4-cyanobenzodithioate, 98% (HPLC)?

2-Cyano-2-propyl 4-cyanobenzodithioate, 98% (HPLC) has the molecular formula C12H10N2S2 and a molecular weight of 246.4 g/mol. Its IUPAC name is 2-cyanopropan-2-yl 4-cyanobenzenecarbodithioate.

Which grade and pack sizes of 2-Cyano-2-propyl 4-cyanobenzodithioate, 98% (HPLC) can I order?

We supply 2-Cyano-2-propyl 4-cyanobenzodithioate, 98% (HPLC) in (98%) grade, in 1 g, 5 g packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 2-Cyano-2-propyl 4-cyanobenzodithioate, 98% (HPLC)?

Yes. Every lot of 2-Cyano-2-propyl 4-cyanobenzodithioate, 98% (HPLC) is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can 2-Cyano-2-propyl 4-cyanobenzodithioate, 98% (HPLC) be shipped internationally?

Yes. 2-Cyano-2-propyl 4-cyanobenzodithioate, 98% (HPLC) is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.