ChemicalBook CAS DataBase List 125051-32-3

125051-32-3

Name	BIS(2,6-DIFLUORO-3-(1-HYDROPYRROL-1-YL)PHENYL)TITANOCENE
CAS	125051-32-3
EINECS(EC#)	412-000-1
Molecular Formula	C30H22F4N2Ti 10*
MDL Number	MFCD00274256
Molecular Weight	534.37
MOL File	125051-32-3.mol

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
color	Yellow-orange
Hydrolytic Sensitivity	4: no reaction with water under neutral conditions
InChI	InChI=1S/2C10H6F2N.2C5.Ti/c211-8-3-4-10(9(12)7-8)13-5-1-2-6-13;21-2-4-5-3-1;/h21-6H;;;/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 Data

Symbol(GHS)	GHS02,GHS08,GHS09
Signal word	Danger
Hazard statements	H228-H361f-H373-H411
Precautionary statements	P210-P280-P260-P308+P313
Hazard Codes	F,Xn,N
Risk Statements	36/37/38-51/53-62-48/22-11 less more
Safety Statements	26-36/37/39-61-36/37-33-22-7 less more
RIDADR	UN1325
TSCA	Yes
REACH Registrations	Active
HazardClass	4.1
HS Code	2914199090

Hazard Information

Description

Bis[2,6-difluoro-3-(1H-pyrrol-1-yl)phenyl]titanocene, also known as Photosensitizer Irgacure 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.
Bis[2,6-difluoro-3-(1H-pyrrol-1-yl)phenyl]titanocene

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

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.

Spectrum Detail

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