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CAS No.: | 26201-32-1 |
---|---|
Name: | Titanyl phthalocyanine |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C32H16N8OTi |
Molecular Weight: | 576.412 |
Synonyms: | Titanium,oxo[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, (SP-5-12)-;29H,31H-Phthalocyanine, titanium complex;ELA 7051;Fastogen Blue 8310;Phthalocyaninetitanyl complex;T 22S;a-Titanyl phthalocyanine; |
EINECS: | 419-970-5 |
Melting Point: | 395.1 °C (dec.)(lit.) |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 101.09000 |
LogP: | 1.34560 |
dichloro(phthalocyaninato)titanium(IV)
water
oxotitanium(IV) phthalocyanine
Conditions | Yield |
---|---|
In pyridine Ti-complex was boiled in aq. pyridine for 2 h, cooled; filtered, washed with water, dried in vacuo at 100°C; elem. anal.; | 97% |
With hydrogenchloride In DMF (N,N-dimethyl-formamide); water at 100 - 120℃; for 1h; |
Conditions | Yield |
---|---|
In quinoline at 180℃; for 6h; Product distribution / selectivity; | 76.8% |
With thiourea In further solvent(s) TiCl4 was mixed with heptanol, heated to boiling, ligand was added, withor without thiourea, heated to 170°C, kept for 6 h; cooled, filtered, washed with toluene and MeOH, extd. with MeOH in Soxhlet for 4 h, dried in air; elem. anal.; | 60% |
In ethanol at -20.01℃; under 46504.7 Torr; for 1h; | 60% |
isoindole-1,3-diylidenediamine
titanium tetra-n-propoxide
phthalonitrile
oxotitanium(IV) phthalocyanine
Conditions | Yield |
---|---|
In 1-methyl-pyrrolidin-2-one at 198℃; for 2h; Product distribution / selectivity; Heating / reflux; | 76% |
isoindole-1,3-diylidenediamine
oxotitanium(IV) phthalocyanine
B
butan-1-ol
Conditions | Yield |
---|---|
In 1-chloronaphthalene (CINp) at 140 - 200℃; for 2h; Product distribution / selectivity; | A 72% B n/a |
Conditions | Yield |
---|---|
In 1-Chloronaphthalene at 195℃; for 3h; Product distribution / selectivity; Heating / reflux; | 70% |
In 1-methyl-pyrrolidin-2-one at 50 - 95℃; for 6h; Product distribution / selectivity; | 1.5% |
In 1-methyl-pyrrolidin-2-one at 24 - 100℃; Product distribution / selectivity; Electrochemical reaction; | |
In ethylene glycol at 24 - 100℃; Product distribution / selectivity; Electrochemical reaction; | |
In sulfolane Inert atmosphere; |
dichlorotitanium phthalocyanine
oxotitanium(IV) phthalocyanine
Conditions | Yield |
---|---|
With hydrogenchloride; N,N-dimethyl-formamide In water at 100 - 120℃; for 1h; pH=>= 6; |
Conditions | Yield |
---|---|
With pentan-1-ol; benzamide In xylene at 144℃; for 6h; Heating / reflux; |
oxygen
titanium tetrachloride
phthalonitrile
oxotitanium(IV) phthalocyanine
Conditions | Yield |
---|---|
In 1-Chloronaphthalene at 25 - 210℃; for 5h; | |
In Diphenylmethane; 1,1,2,2-tetrachloroethane at 40 - 210℃; for 6 - 8h; Product distribution / selectivity; |
Conditions | Yield |
---|---|
With tetrabutoxytitanium In nonyl alcohol at 160 - 170℃; for 0.1 - 6h; Product distribution / selectivity; Microwave and ultrasonic energy; |
isoindole-1,3-diylidenediamine
oxotitanium(IV) phthalocyanine
Conditions | Yield |
---|---|
With quinoline; tetrabutoxytitanium at 170 - 180℃; for 0.1 - 6h; Product distribution / selectivity; |
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Following is the structure of Titanyl phthalocyanine (CAS NO.26201-32-1):
Empirical Formula: C32H16N8OTi
Molecular Weight: 576.3894
Melting point: 395 °C (dec.)
Product Categories: Organometallics; electronic;pharmacetical; Infrared (IR) DyesPhotonic and Optical Materials; Organic Electronics and Photonics; Photonic and Optical Materials; Phthalocyanine and Porphyrin Dyes; Phthalocyanines; Hole Transporting MaterialsOrganic Electronics and Photonics; OLED and PLED Materials
Canonical SMILES: C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.O=[Ti+2]
InChI: InChI=1S/C32H16N8.O.Ti/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;;/h1-16H;;/q-2;;+2
InChIKey: SJHHDDDGXWOYOE-UHFFFAOYSA-N
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
TSCA: No
Titanyl phthalocyanine , its cas register number is 26201-32-1. It also can be called Titanium, oxo(29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-5-12)- . Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].