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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:
155614-01-0
Molecular Weight:
749.13
MDL number:
MFCD00191915
UNSPSC Code:
12352103
PubChem Substance ID:
57649999
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
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

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

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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Penakofer, A.
Journal of Physics D: Applied Physics, 46, 43-43 (1988)
Babenko, V.A. et al.
Kvantovaya Elektronica, 7, 1796-1796 (1980)

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