Bis[2,6-difluoro-3-(1H-pyrrol-1-yl)phenyl]titanocene Chemical Properties

Melting point:

160-170°C

Density 

1.43 at 20℃

vapor pressure 

0-0.001Pa at 25-50℃

storage temp. 

below 5° C

form 

Powder

Hydrolytic Sensitivity

4: no reaction with water under neutral conditions

InChI

InChI=1S/2C10H6F2N.2C5.Ti/c2*11-8-3-4-10(9(12)7-8)13-5-1-2-6-13;2*1-2-4-5-3-1;/h2*1-6H;;;/q4*-1;+4

InChIKey

HRVFAWAOUBYIBB-UHFFFAOYSA-N

SMILES

FC1=C(N2C=CC=C2)C=CC(F)=[C-]1[Ti+4]12345678([C-]9=C(C=CC(N%10C=CC=C%10)=C9F)F)(C9=C1[C-]2C3=C49)C1=C5C6=C7[C-]81

LogP

9.5 at 20℃

Surface tension

72.4mN/m at 10g/L and 20℃

EPA Substance Registry System

Titanium, bis(.eta.5-2,4-cyclopentadien-1-yl)bis[2,6-difluoro-3-(1H-pyrrol-1-yl)phenyl]- (125051-32-3)

Safety Information

Hazard Codes 

F,Xn,N

Risk Statements 

36/37/38-51/53-62-48/22-11

Safety Statements 

26-36/37/39-61-36/37-33-22-7

TSCA 

Yes

HS Code 

2914199090

Bis[2,6-difluoro-3-(1H-pyrrol-1-yl)phenyl]titanocene Usage And Synthesis

Description

Bis[2,6-difluoro-3-(1H-pyrrol-1-yl)phenyl]titanocene, also known as Photosensitizer Irgacure 784 or HRcure-784, is an excellent photoinitiator used in a variety of holography material systems. It belongs to titanium‐complex free radical photoinitiator. As a highly active orange solid photoinitiator, Bis[2,6-difluoro-3-(1H-pyrrol-1-yl)phenyl]titanocene has good photoactivity, thermal stability, and low toxicity. Irgacure 784 has high solubility doped in liquid methyl methacrylate (MMA) monomer, far more than the photoinitiator PQ[1-2].

Uses

BIS(2,6-DIFLUORO-3-(1-HYDROPYRROL-1-YL)PHENYL)TITANOCENE is a highly active orange solid photoinitiator with good photoactivity, thermal stability and low toxicity. As an active diluent, it is mainly used for UV and visible light curing of unsaturated prepolymers together with single or multi-functional vinyl monomers and oligomers.

Hazard

Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]; Flammable solid [Danger Flammable solids]; Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

Properties and Applications

Photoinitiator 784 (also known as HRcure-784) is a highly active orange solid photoinitiator with good photo activity, thermal stability, and low toxicity. As an active diluent, it is mainly used with mono or multifunctional vinyl monomers and oligomers for UV and visible light curing unsaturated prepolymers. It is especially suitable for curing photosensitive resins for imaging or information storage in high-tech and high-value-added fields, information storage equipment, such as photosensitive layers, holography, laser direct imaging, stereolithography, etc. It can initiate the polymerization of unsaturated resins under the action of visible light or ultraviolet light. It can also be used for UV coatings, UV inks, and UV adhesives.

References

[1] Liu Y, et al. Volume holographic recording in Irgacure 784-doped PMMA photopolymer. Optics Express, 2017; 25: 20654-20662.
[2] Li Z, et al. Near‐Infrared‐Induced Cationic Polymerization Initiated by Using Upconverting Nanoparticles and Titanocene. Macromolecular Rapid Communications, 2019; 40: 1900047.

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