Disodium 2,2'-[(E)-1,2-ethenediyl]bis(5-{[4-anilino-6-(diethoxyamino)-1,3,5-triazin-2-yl]amino}benzenesulfonate) | CAS No. 12768-92-2

Disodium 2,2'-[(E)-1,2-ethenediyl]bis(5-{[4-anilino-6-(diethoxyamino)-1,3,5-triazin-2-yl]amino}benzenesulfonate)

Basic Information

CAS Number

12768-92-2

Molecular Formula

C40H42N12Na2O10S2

Molecular Weight

960.9 g/mol

AD

Basic Physical Properties

Melting Point

296-309°C

Boiling Point

227.6 oC at 760 mmHg

Density

1.276

Flash Point

109.9 oC

CCON(C1=NC(=NC(=N1)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)N(OCC)OCC)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=CC=C6)OCC.[Na+].[Na+]

InChI

InChI=1S/C40H44N12O10S2.2Na/c1-5-59-51(60-6-2)39-47-35(41-29-15-11-9-12-16-29)45-37(49-39)43-31-23-21-27(33(25-31)63(53,54)55)19-20-28-22-24-32(26-34(28)64(56,57)58)44-38-46-36(42-30-17-13-10-14-18-30)48-40(50-38)52(61-7-3)62-8-4;;/h9-26H,5-8H2,1-4H3,(H,53,54,55)(H,56,57,58)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2/b20-19+;;

InChIKey

JUBLHYOQMVXSEM-LLIZZRELSA-L

LogP

8.88200

Complexity

1470

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 12768-92-2
  • Fluorescent brightener BA (C.I.113)
  • C.I. Fluorescent Brightener 113
  • Fluorescent Brightener 113
  • disodium;5-[[4-anilino-6-(diethoxyamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-(diethoxyamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
  • MFCD14636465
  • Fluorescent Brightener 113, Tech.
  • Blankophor BA
  • AKOS025311163
  • Fluorescent brightener 113
  • Fluorescent brightening agent 113
  • OPTICAL BRIGHTENER 113
  • Stilbene derivative
  • optical brightener BA

MDL Number

MFCD14636465

Customs Code

3204200000

FAQ

What are the physical and chemical properties of Disodium 2,2'-[(E)-1,2-ethenediyl]bis(5-{[4-anilino-6-(diethoxyamino)-1,3,5-triazin-2-yl]amino}benzenesulfonate) (CAS: 12768-92-2)?

Disodium 2,2'-[(E)-1,2-ethenediyl]bis(5-{[4-anilino-6-(diethoxyamino)-1,3,5-triazin-2-yl]amino}benzenesulfonate) is a crystalline compound with a molecular weight of approximately 1042.14 g/mol. It has a high solubility in organic solvents such as methanol and dimethylformamide. The compound is known for its reactivity towards nucleophiles and its stability under neutral and slightly alkaline conditions. It is also noted for its good water solubility, which facilitates its application in various chemical processes.

How is Disodium 2,2'-[(E)-1,2-ethenediyl]bis(5-{[4-anilino-6-(diethoxyamino)-1,3,5-triazin-2-yl]amino}benzenesulfonate) (CAS: 12768-92-2) typically synthesized?

Disodium 2,2'-[(E)-1,2-ethenediyl]bis(5-{[4-anilino-6-(diethoxyamino)-1,3,5-triazin-2-yl]amino}benzenesulfonate) is synthesized through a multi-step process involving the condensation of aniline and diethoxyamine with 1,3,5-triazine followed by sulfonation and sodium salt formation. The reaction is typically carried out under mild conditions using appropriate solvents and catalysts to achieve high selectivity and yield. Detailed synthesis protocols can be found in the literature.

What industries use Disodium 2,2'-[(E)-1,2-ethenediyl]bis(5-{[4-anilino-6-(diethoxyamino)-1,3,5-triazin-2-yl]amino}benzenesulfonate) (CAS: 12768-92-2)?

Disodium 2,2'-[(E)-1,2-ethenediyl]bis(5-{[4-anilino-6-(diethoxyamino)-1,3,5-triazin-2-yl]amino}benzenesulfonate) is primarily used in the pharmaceutical and sensor industries. It serves as a key intermediate in the synthesis of certain drugs and is also utilized in the development of chemical sensors for detecting specific analytes. Its unique chemical properties make it valuable in these applications.

What precautions should be taken when handling Disodium 2,2'-[(E)-1,2-ethenediyl]bis(5-{[4-anilino-6-(diethoxyamino)-1,3,5-triazin-2-yl]amino}benzenesulfonate) (CAS: 12768-92-2)?

When handling Disodium 2,2'-[(E)-1,2-ethenediyl]bis(5-{[4-anilino-6-(diethoxyamino)-1,3,5-triazin-2-yl]amino}benzenesulfonate), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood to minimize exposure to vapors. Proper spill cleanup procedures should be followed, and the Material Safety Data Sheet (MSDS) should be consulted for detailed safety information. Adequate storage in a cool, dry place away from incompatible materials is also recommended.

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