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2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94%

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2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94% (CAS 147597-66-8) supplier Zemixal…

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2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94% chemical structure
CAS number147597-66-8
FormulaC20H24N4O6S
Molar mass448.5 g/mol
HS code29420090
Purity≥94%
InChIKeyJDNCFHZWJCDPHS-FPLPWBNLSA-N
IUPAC name2-[(8Z)-1,7-bis(carboxymethyl)-2-[(4-isothiocyanatophenyl)methyl]-2,3,5,6-tetrahydro-1,4,7-triazonin-4-yl]acetic acid

About 2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94%

Researchers and plant chemists source 2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94% from Zemixal for routine and specialised work. For your records (≥94%), the material is defined by CAS 147597-66-8, formula C20H24N4O6S and molar mass 448.5 g/mol.

Typical applications

  • Titration end-point detection
  • pH determination
  • Analytical testing

Storage and safety notes

No GHS classification is recorded for this item, but handle it with normal laboratory care.

Available as 50 mg and 1 g. Larger or split packs can be arranged. Every shipment includes a batch certificate of analysis and a 16-section SDS. Send an enquiry through the quote panel and you get a formal offer with Incoterms and delivery time.

Typical uses

  • Titration end-point detection
  • pH determination
  • Analytical testing

Applications

Specifications and identifiers

Specifications of 2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94%
Product name2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94%
Catalogue numberZX-000307
CAS number147597-66-8
IUPAC name2-[(8Z)-1,7-bis(carboxymethyl)-2-[(4-isothiocyanatophenyl)methyl]-2,3,5,6-tetrahydro-1,4,7-triazonin-4-yl]acetic acid
Molecular formulaC20H24N4O6S
Molar mass448.5 g/mol
Exact mass448.1417
Purity / assay≥94%
XLogP30.5
H-bond donors / acceptors3 / 11
Topological polar surface area166 Ų
HS code29420090
InChIKeyJDNCFHZWJCDPHS-FPLPWBNLSA-N
SMILESC1CN(/C=C\N(C(CN1CC(=O)O)CC2=CC=C(C=C2)N=C=S)CC(=O)O)CC(=O)O
PubChem CID3036142
Synonymsp-SCN-Bn-NOTA, 2-(4-Ncs-Bz)-nota, 2-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

No GHS classification is on file for this item. Handle it as an unknown laboratory chemical and request the SDS with your quotation.

Pack sizes

Pack sizes of 2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94%
50 mgQuoted on request
1 gQuoted on request

Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.

Questions about 2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94%

Which CAS number identifies 2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94%?
2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94% is registered under CAS 147597-66-8. You may also see it listed as p-SCN-Bn-NOTA, 2-(4-Ncs-Bz)-nota, 2-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid. Our catalogue number for this item is ZX-000307.
What are the formula and molar mass of 2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94%?
For 2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94%, its formula is C20H24N4O6S and its molar mass is 448.5 g/mol. The systematic (IUPAC) name is 2-[(8Z)-1,7-bis(carboxymethyl)-2-[(4-isothiocyanatophenyl)methyl]-2,3,5,6-tetrahydro-1,4,7-triazonin-4-yl]acetic acid. InChIKey JDNCFHZWJCDPHS-FPLPWBNLSA-N lets you match it in any structure database.
What grade and pack sizes are available for 2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94%?
This listing is ≥94% purity. Standard packs are 50 mg, 1 g. Larger quantities and custom packing can be quoted on request.
Which documents come with 2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94%?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship 2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94% to my country?
Yes. 2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94% ships worldwide by express courier, air cargo or sea freight, quoted on the Incoterm you prefer, with full export documents.

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