CAS 155613-98-2|IR-1048

Introduction：Basic information about CAS 155613-98-2|IR-1048, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. IR-1048 BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Synonyms

Common Name	IR-1048
CAS Number	155613-98-2	Molecular Weight	739.90700
Density	/	Boiling Point	/
Molecular Formula	C₄₀H₃₈BCl₃F₄N₂	Melting Point	230ºC (dec.)(lit.)
MSDS	ChineseUSA	Flash Point	/
Symbol	GHS07	Signal Word	Warning

Names

Name	1-butyl-2-[2-[3-[(1-butyl-6-chlorobenz[cd]indol-2(1h)-ylidene)ethylidene]-2-chloro-1-cyclohexen-1-yl]ethenyl]-6-chlorobenz[cd]indolium tetrafluoroborate
Synonym	More Synonyms

IR-1048 BiologicalActivity

Description	IR-1048 (S01448) is a dye and also is a photothermal agent. IR-1048 can be used for the research of tumor diagnosis[1][1].
Related Catalog	Research Areas >>Cancer
References	[1]. Xiaoqing Meng, et al. Hypoxia-triggered single molecule probe for high-contrast NIR II/PA tumor imaging and robust photothermal therapy. Theranostics. 2018 Nov 15;8(21):6025-6034. [2]. Xiaoxu Kang, et al. Dual-Cascade Responsive Nanoparticles Enhance Pancreatic Cancer Therapy by Eliminating Tumor-Resident Intracellular Bacteria. Adv Mater. 2022 Dec;34(49):e2206765.

Description

IR-1048 (S01448) is a dye and also is a photothermal agent. IR-1048 can be used for the research of tumor diagnosis[1][1].

Related Catalog

Research Areas >>Cancer

References

[1]. Xiaoqing Meng, et al. Hypoxia-triggered single molecule probe for high-contrast NIR II/PA tumor imaging and robust photothermal therapy. Theranostics. 2018 Nov 15;8(21):6025-6034.

[2]. Xiaoxu Kang, et al. Dual-Cascade Responsive Nanoparticles Enhance Pancreatic Cancer Therapy by Eliminating Tumor-Resident Intracellular Bacteria. Adv Mater. 2022 Dec;34(49):e2206765.

Chemical & Physical Properties

Melting Point	230ºC (dec.)(lit.)
Molecular Formula	C₄₀H₃₈BCl₃F₄N₂
Molecular Weight	739.90700
Exact Mass	738.21300
PSA	7.94000
LogP	12.91920
InChIKey	IKZNCEDZIQWVNS-UHFFFAOYSA-N
SMILES	CCCCn1c(=CC=C2CCCC(C=CC3=[N+](CCCC)c4ccc(Cl)c5cccc3c45)=C2Cl)c2cccc3c(Cl)ccc1c32.F[B-](F)(F)F
Storage condition	-20°C

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xi: Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S26-S36
RIDADR	NONH for all modes of transport

Synonyms

ir-1048

benz[cd]indolium,1-butyl-2-[2-[3-[(1-butyl-6-chlorobenz[cd]indol-2(1h)-ylidene)ethylidene]-2-chloro-1-cyclohexen-1-yl]ethenyl]-6-chloro-,tetrafluoroborate(1-)

ir 1048 tetrafluoroborate

1-butyl-2-[(e)-2-(3-((e)-2-[1-butyl-6-chlorobenzo[cd]indol-2(1h)-ylidene]ethylidene)-2-chloro-1-cyclohexen-1-yl)ethenyl]-6-chlorobenzo[cd]indolium tetrafluoroborate

MFCD00191874

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