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p-SCN-Bn-DOTA, ≥99%

Available on request

Order p-SCN-Bn-DOTA, ≥99% (CAS 127985-74-4) online at Zemixal: C24H33N5O8S, COA and SDS with every lot, worldwide shipping.

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p-SCN-Bn-DOTA, ≥99% chemical structure
CAS number127985-74-4
FormulaC24H33N5O8S
Molar mass551.6 g/mol
Physical formSolid
HS code29420090
Purity≥99%
InChIKeyUDOPJKHABYSVIX-UHFFFAOYSA-N
IUPAC name2-[4,7,10-tris(carboxymethyl)-6-[(4-isothiocyanatophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

About p-SCN-Bn-DOTA, ≥99%

Researchers and plant chemists source p-SCN-Bn-DOTA, ≥99% from Zemixal for routine and specialised work. Key data (≥99%): CAS 127985-74-4, formula C24H33N5O8S and molar mass 551.6 g/mol. Typical appearance is solid.

Common uses in the lab and plant

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

Safe handling

Handle with the usual laboratory precautions and consult the SDS supplied with each lot.

Standard pack sizes are 50 mg and 100 mg, and custom quantities are quoted on request. You receive a batch certificate of analysis and a 16-section SDS with each order. Add it to your quote list and our team replies with price, lead time and shipping options within one business day.

Typical uses

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

Applications

Specifications and identifiers

Specifications of p-SCN-Bn-DOTA, ≥99%
Product namep-SCN-Bn-DOTA, ≥99%
Catalogue numberZX-000397
CAS number127985-74-4
IUPAC name2-[4,7,10-tris(carboxymethyl)-6-[(4-isothiocyanatophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular formulaC24H33N5O8S
Molar mass551.6 g/mol
Exact mass551.205
Purity / assay≥99%
Physical formSolid
AppearanceSolid
XLogP3-7.2
H-bond donors / acceptors4 / 14
Topological polar surface area207 Ų
HS code29420090
InChIKeyUDOPJKHABYSVIX-UHFFFAOYSA-N
SMILESC1CN(CCN(C(CN(CCN1CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)N=C=S)CC(=O)O)CC(=O)O
PubChem CID10123265
SynonymsS-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

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 p-SCN-Bn-DOTA, ≥99%
50 mgQuoted on request
100 mgQuoted on request

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

Questions about p-SCN-Bn-DOTA, ≥99%

Which CAS number identifies p-SCN-Bn-DOTA, ≥99%?
p-SCN-Bn-DOTA, ≥99% is registered under CAS 127985-74-4. You may also see it listed as S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid, (p-SCN-Bn)-dota, p-SCN-Bz-dota. Our catalogue number for this item is ZX-000397.
What are the formula and molar mass of p-SCN-Bn-DOTA, ≥99%?
For p-SCN-Bn-DOTA, ≥99%, its formula is C24H33N5O8S and its molar mass is 551.6 g/mol. The systematic (IUPAC) name is 2-[4,7,10-tris(carboxymethyl)-6-[(4-isothiocyanatophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid. InChIKey UDOPJKHABYSVIX-UHFFFAOYSA-N lets you match it in any structure database.
What grade and pack sizes are available for p-SCN-Bn-DOTA, ≥99%?
This listing is ≥99% purity. Standard packs are 50 mg, 100 mg. Larger quantities and custom packing can be quoted on request.
Which documents come with p-SCN-Bn-DOTA, ≥99%?
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 p-SCN-Bn-DOTA, ≥99% to my country?
Yes. p-SCN-Bn-DOTA, ≥99% ships worldwide by express courier, air cargo or sea freight, quoted on the Incoterm you prefer, with full export documents.
p-SCN-Bn-NOTA
Formula
C₂₀H₂₆N₄O₆S.3HCl
MW
559.9 g/mol
ZX-000398

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