IR-825 - ≥98% , CAS No.1558079-49-4

CAS: 1558079-49-4 Cat. No.: I1454601 Formula: C₅₄H₄₈BrClN₂O₄ Molecular Weight: 904.3 PubChem CID: 137256670

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Overview

IR-825 is a near infrared fluorescent dye.the end of IR-825 has carboxyl COOH active group, and can participate in the reaction to connect other molecules. IR-825 can be widely used in tumor photothermal treatment..

Specifications

Specifications & Purity

≥98%

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CC4=CC=C(C=C4)C(=O)O)C=CC5=C(C(=CC=C6C(C7=C(N6CC8=CC=C(C=C8)C(=O)O)C=CC9=CC=CC=C97)(C)C)CCC5)Cl)C.[Br-]
• IUPAC Name: 4-[[(2Z)-2-[(2E)-2-[3-[(E)-2-[3-[(4-carboxyphenyl)methyl]-1,1-dimethylbenzo[e]indol-3-ium-2-yl]ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]methyl]benzoic acid;bromide
• InChIKey: BAUXJOQQUWDIAO-UHFFFAOYSA-N
• INCHI: 1S/C54H47ClN2O4.BrH/c1-53(2)46(56(32-34-16-20-40(21-17-34)51(58)59)44-28-24-36-10-5-7-14-42(36)48(44)53)30-26-38-12-9-13-39(50(38)55)27-31-47-54(3,4)49-43-15-8-6-11-37(43)25-29-45(49)57(47)33-35-18-22-41(23-19-35)52(60)61;/h5-8,10-11,14-31H,9,12-13,32-33H2,1-4H3,(H-,58,59,60,61);1H
• PubChem CID: 137256670
• Molecular Weight: 904.3

References

1. Chenyu Zhao, Rong Wang, Siyuan Luo, Ya Wang, Zhenhai Gan, Jingran Di, Daocheng Wu.  (2025)  Molecular Stacking@Infinite Coordination Polymer Nanocomposites for Tumor Continuous High-Intensity Photothermal–Thermodynamic Alternate Cycle Therapy and Chemotherapy.  ACS Nano,      [PMID:40719356] [10.1021/acsnano.5c07772]

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1558079-49-4, the molecular formula is C54H48BrClN2O4, and the molecular weight is 904.3 g/mol. InChIKey BAUXJOQQUWDIAO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.