Bis(cyclopenta-1,3-diene)bis(1-(2,4-difluorophenyl)-3H-pyrrol-3-yl)titanium supplier

Name
BIS(2,6-DIFLUORO-3-(1-HYDROPYRROL-1-YL)PHENYL)TITANOCENE
EINECS 412-000-1
CAS No. 125051-32-3
Density 1.43 at 20℃
Solubility
Melting Point 160-170 °C
Formula C₃₀H₂₂F₄N₂Ti
Boiling Point 225.3 °C at 760 mmHg
Molecular Weight 534.37
Flash Point 90 °C
Transport Information
Appearance Yellow-orange powder
Safety 26-36/37/39-61-36/37-33-22-7
Risk Codes 36/37/38-51/53-62-48/22-11
Molecular Structure
Hazard Symbols F, Xn, N
Synonyms 1H-Pyrrole,1-(2,4-difluorophenyl)-, titanium complex;Bis h5-2,4-cyclopentadien-1-yl)bis(2,6-difluoro-3-(1H-pyrrol-1-yl)phenyl)titanium;Bis(cyclopentadienyl)-bis[2,6-difluoro-3-(pyrrol-1-yl)-phenyl]titaninum;Bis(h5-cyclopentadien-1-yl)-bis[2,6-difluoro-3-(1H-pyrrol-1-yl)phenyl]titanium;CGI 784;Dicyclopentadienylbis[2,6-difluoro-3-(1-pyrrolyl)phenyl]titanium;IC784;IRG 784;Irgacure 784;
PSA 9.86000
LogP 7.15440

Bis(cyclopenta-1,3-diene)bis(1-(2,4-difluorophenyl)-3H-pyrrol-3-yl)titanium Specification

The IUPAC name of Bis(cyclopenta-1,3-diene)bis(1-(2,4-difluorophenyl)-3H-pyrrol-3-yl)titanium is cyclopenta-1,3-diene; 1-(2,4-difluorophenyl)-3H-pyrrol-3-ide; titanium(4+). With the CAS registry number 125051-32-3, it is also named as Titanium, bis(eta5-2,4-cyclopentadien-1-yl)bis(2,6-difluoro-3-(1H-pyrrol-1-yl)phenyl)-. The classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. It is yellow-orange powder which should sealed in the container and keep container tightly closed.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 165.18; (6)ACD/KOC (pH 5.5): 1346.54; (7)ACD/KOC (pH 7.4): 1346.54; (8)#H bond acceptors: 1; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 1; (11)Enthalpy of Vaporization: 44.3 kJ/mol; (12)Vapour Pressure: 0.13 mmHg at 25°C; (13)Rotatable Bond Count: 2; (14)Exact Mass: 534.119859; (15)MonoIsotopic Mass: 534.119859; (16)Topological Polar Surface Area: 6.5; (17)Heavy Atom Count: 37.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable and irritating to eyes, respiratory system and skin, so people should not breathe dust. Bis(cyclopenta-1,3-diene)bis(1-(2,4-difluorophenyl)-3H-pyrrol-3-yl)titanium is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. Additionally, avoid release to the environment.

People can use the following data to convert to the molecule structure.
1. SMILES:[Ti+4].Fc1ccc(c(F)c1)n2c[c-]cc2.Fc1cc(F)c(cc1)n2c[c-]cc2.c1[c-]ccc1.c1[c-]ccc1
2. InChI:InChI=1/2C10H6F2N.2C5H5.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*1,3-7H;2*1-5H;/q4*-1;+4.

Product Name

BIS(2,6-DIFLUORO-3-(1-HYDROPYRROL-1-YL)PHENYL)TITANOCENE

Bis(cyclopenta-1,3-diene)bis(1-(2,4-difluorophenyl)-3H-pyrrol-3-yl)titanium Specification

Related Products

Hot Products