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Sodium 4-[(2E)-2-{(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]-2,4,6-heptatrien-1-ylidene}-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl]-1-butanesulfonate(CAS: 3599-32-4)

Sodium 4-[(2E)-2-{(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]-2,4,6-heptatrien-1-ylidene}-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl]-1-butanesulfonate
CAS Number

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Basic Information

Molecular Formula
C43H47N2NaO6S2
Molecular Weight
775 g/mol
EINECS
222-751-5
Physical State
Green-bronze

Physical Properties

Melting Point
235 °C
Boiling Point
No data available
Flash Point
No data available
Water Solubility
slightly soluble

Chemical Identifiers

SMILES
CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])C=CC=CC=CC=C4C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC6=CC=CC=C65)(C)C)C.[Na+]
InChIKey
MOFVSTNWEDAEEK-UHFFFAOYSA-M

Database References

MDL Number
MFCD00013078
Beilstein Registry Number
4115884

FAQ

Sodium 4-[(2E)-2-{(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]-2,4,6-heptatrien-1-ylidene}-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl]-1-butanesulfonate (CAS: 3599-32-4) is a complex organic sodium salt containing a benzo[e]indolium ring system with sulfonate functional groups. It exhibits photoreactivity and is characterized by its conjugated triene structure, making it relevant in specialized chemical applications. The compound is typically used in research and industrial contexts requiring precise molecular properties.
Sodium 4-[(2E)-2-{(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]-2,4,6-heptatrien-1-ylidene}-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl]-1-butanesulfonate (CAS: 3599-32-4) is primarily used in pharmaceutical research for its potential as a photosensitizer. It also finds applications in dye chemistry and as a compound for developing light-sensitive materials. Its unique structure makes it valuable in advanced scientific studies involving photochemical reactions and functionalized organic chemistry.
Sodium 4-[(2E)-2-{(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]-2,4,6-heptatrien-1-ylidene}-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl]-1-butanesulfonate (CAS: 3599-32-4) is generally considered safe when handled properly, but it requires caution due to its chemical reactivity. Safety measures include wearing gloves, goggles, and lab coats to avoid skin or eye contact. Inhalation and ingestion should be avoided, and proper ventilation is essential. Always follow established safety protocols and consult material safety data sheets (MSDS) for detailed guidelines.
Sodium 4-[(2E)-2-{(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]-2,4,6-heptatrien-1-ylidene}-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl]-1-butanesulfonate (CAS: 3599-32-4) should be stored in a cool, dry place (ideally 2-8°C), protected from light. It requires airtight, dark-colored containers to maintain stability. Avoid exposure to moisture and incompatible substances. Ensure proper labeling and storage in accordance with chemical safety standards for long-term preservation.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information

Contact Person

Mr. Zhai

Email

xiangyang.zhai@jk-sci.com

Mobile

18210857532

Address

Beijing Chaoyang District, Building A, 5th Floor, Junfeng Huating, No. 69 Beichen West Road