p-SCN-Bn-DOTA, ≥99%

Name: p-SCN-Bn-DOTA, ≥99%
Brand: Vaqora Chemicals
SKU: VQ-000397

About p-SCN-Bn-DOTA, ≥99%

Listed under CAS 127985-74-4, p-SCN-Bn-DOTA is an indicator available from Vaqora Chemicals at a purity of ≥99%. The compound has the formula C24H33N5O8S, corresponding to a molecular weight of 551.6 g/mol. Systematically, it is named 2-[4,7,10-tris(carboxymethyl)-6-[(4-isothiocyanatophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid. Alternative names: (p-SCN-Bn)-dota and p-SCN-Bz-dota.

The product is provided as a solid. Store sealed in a dry, well-ventilated location away from incompatible materials. Good laboratory practice and suitable PPE are recommended during handling.

Key uses span titration end-point detection, pH determination and analytical testing. Our customers for this product work in academic and industrial research.

Vaqora Chemicals supplies p-SCN-Bn-DOTA in 50 mg and 100 mg packs, each shipped with a Certificate of Analysis (COA), and exports worldwide. A Safety Data Sheet (SDS) and technical specifications are available on request.

Typical applications

Titration end-point detection
pH determination
Analytical testing

Industries

Specifications & identifiers

Chemical identifiers
Product name	p-SCN-Bn-DOTA, ≥99%
Catalogue No.	VQ-000397
CAS Number	127985-74-4
IUPAC name	2-[4,7,10-tris(carboxymethyl)-6-[(4-isothiocyanatophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular formula	C₂₄H₃₃N₅O₈S
Molecular weight	551.6 g/mol
Exact mass	551.205
Purity / assay	≥99%
HSN code	29420090
InChIKey	UDOPJKHABYSVIX-UHFFFAOYSA-N
SMILES	C1CN(CCN(C(CN(CCN1CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)N=C=S)CC(=O)O)CC(=O)O
PubChem CID	10123265

Physical properties
Physical form	Solid
Appearance	Solid
LogP (XLogP3)	-7.2
H-bond donors / acceptors	4 / 14
TPSA	207 Å²
Synonyms	S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid, (p-SCN-Bn)-dota, p-SCN-Bz-dota, 2-(4-isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-(4-isothiocyanato benzyl)-1,4,7,10 tetraazacyclo dodecane-1,4,7,10-tetraacetic acid

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 p-SCN-Bn-DOTA, ≥99%?

The CAS Registry Number of p-SCN-Bn-DOTA, ≥99% is 127985-74-4. It is also known as S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid, (p-SCN-Bn)-dota, p-SCN-Bz-dota.

What is the molecular formula and molecular weight of p-SCN-Bn-DOTA, ≥99%?

p-SCN-Bn-DOTA, ≥99% has the molecular formula C24H33N5O8S and a molecular weight of 551.6 g/mol. Its IUPAC name is 2-[4,7,10-tris(carboxymethyl)-6-[(4-isothiocyanatophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid.

Which grade and pack sizes of p-SCN-Bn-DOTA, ≥99% can I order?

We supply p-SCN-Bn-DOTA, ≥99% in (≥99%) grade, in 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with p-SCN-Bn-DOTA, ≥99%?

Yes. Every lot of p-SCN-Bn-DOTA, ≥99% 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 p-SCN-Bn-DOTA, ≥99% be shipped internationally?

Yes. We export p-SCN-Bn-DOTA, ≥99% worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.