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405124

Sigma-Aldrich

IR-1061

Dye content 80 %

Synonym(s):

4-[2-[2-Chloro-3-[(2,6-diphenyl-4H-thiopyran-4-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium tetrafluoroborate

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About This Item

Empirical Formula (Hill Notation):
C44H34ClS2 · BF4
CAS Number:
Molecular Weight:
749.13
MDL number:
UNSPSC Code:
12352103
PubChem Substance ID:
NACRES:
NA.23

form

powder

composition

Dye content, 80%

mp

222 °C (dec.) (lit.)

λmax

1051-1065 nm in methylene chloride

storage temp.

−20°C

SMILES string

F[B-](F)(F)F.ClC1=C(CCC\C1=C\C=C2/C=C(SC(=C2)c3ccccc3)c4ccccc4)\C=C\c5cc([s+]c(c5)-c6ccccc6)-c7ccccc7

InChI

1S/C44H34ClS2.BF4/c45-44-38(26-24-32-28-40(34-14-5-1-6-15-34)46-41(29-32)35-16-7-2-8-17-35)22-13-23-39(44)27-25-33-30-42(36-18-9-3-10-19-36)47-43(31-33)37-20-11-4-12-21-37;2-1(3,4)5/h1-12,14-21,24-31H,13,22-23H2;/q+1;-1

InChI key

QRLZQHNDSCIJTI-UHFFFAOYSA-N

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Application

  • Transmissible H-aggregated NIR-II Fluorophore: This study developed a transmissible H-aggregated NIR-II fluorophore that targets tumor cell membranes, enhancing photothermal therapy and synergistic cancer treatment. It detailed the fluorescence spectra and molecular dynamics of IR-1061 (H Yu, Y Wang, Y Chen, M Cui, F Yang, P Wang, M Ji, 2023).
  • Deep Tissue in Vivo Imaging: Research on over-1000 nm near-infrared fluorescent biodegradable polymer nanoparticles for deep tissue in vivo imaging in the second biological window, using IR-1061 encapsulated into micelles (M Kamimura, S Takahiro, M Yoshida, Y Hashimoto, 2017).
  • NIR-II Fluorescent Nanosystem: The study involved the rational design of a NIR-II fluorescent nanosystem, maximizing fluorescence performance for medical applications, utilizing IR-1061 in liposomes (H Yu, Y Wang, Y Chen, M Ji, 2021).

Features and Benefits

Q-switching IR laser dye.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

PRTR

Class I Designated Chemical Substances

JAN Code

405124-VAR:
405124-50MG:4548173146256
405124-BULK:
405124-250MG:4548173146249


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Gil Yeroslavsky et al.
Biomaterials science, 8(8), 2245-2254 (2020-03-05)
One of the most commonly used near infrared (NIR) dyes is indocyanine green (ICG), which has been extensively used for NIR bioimaging, photothermal and photodynamic therapy. However, upon excitation this dye can react with molecular oxygen to form singlet oxygen
Babenko, V.A. et al.
Kvantovaya Elektronica, 7, 1796-1796 (1980)
Penakofer, A.
Journal of Physics D: Applied Physics, 46, 43-43 (1988)

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