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Cas Database

Name	Titanyl phthalocyanine	EINECS	419-970-5
CAS No.	26201-32-1	Density	N/A
PSA	101.09000	LogP	1.34560
Solubility	N/A	Melting Point	395.1 °C (dec.)(lit.)
Formula	C₃₂H₁₆N₈OTi	Boiling Point	N/A
Molecular Weight	576.412	Flash Point	N/A
Transport Information	N/A	Appearance	N/A
Safety	26-36	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	Xi
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;	Article Data	24

Titanyl phthalocyanine Synthetic route

: 1208497-30-6, 16903-42-7
dichloro(phthalocyaninato)titanium(IV)

: 7732-18-5
water

: 26201-32-1
oxotitanium(IV) phthalocyanine

Conditions

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;

: 7550-45-0
titanium tetrachloride

: 91-15-6
phthalonitrile

: 26201-32-1
oxotitanium(IV) phthalocyanine

Conditions

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%

: 160956-25-2, 160956-26-3, 160956-27-4, 160956-28-5, 160956-29-6
isoindole-1,3-diylidenediamine

: 3087-37-4
titanium tetra-n-propoxide

: 91-15-6
phthalonitrile

: 26201-32-1
oxotitanium(IV) phthalocyanine

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one at 198℃; for 2h; Product distribution / selectivity; Heating / reflux;	76%

: tetrabutoxytitanium

: 160956-25-2, 160956-26-3, 160956-27-4, 160956-28-5, 160956-29-6
isoindole-1,3-diylidenediamine

: 26201-32-1
oxotitanium(IV) phthalocyanine

B: 71-36-3
butan-1-ol

Conditions

Conditions	Yield
In 1-chloronaphthalene (CINp) at 140 - 200℃; for 2h; Product distribution / selectivity;	A 72% B n/a

oxotitanium(IV) phthalocyanine: oxotitanium(IV) phthalocyanine

Conditions

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;

: 1208497-30-6, 16903-42-7
dichlorotitanium phthalocyanine

: 26201-32-1
oxotitanium(IV) phthalocyanine

Conditions

Conditions	Yield
With hydrogenchloride; N,N-dimethyl-formamide In water at 100 - 120℃; for 1h; pH=>= 6;

: tetrabutoxytitanium

: 91-15-6
phthalonitrile

: 26201-32-1
oxotitanium(IV) phthalocyanine

Conditions

Conditions	Yield
With pentan-1-ol; benzamide In xylene at 144℃; for 6h; Heating / reflux;

: 80937-33-3
oxygen

: 7550-45-0
titanium tetrachloride

: 91-15-6
phthalonitrile

: 26201-32-1
oxotitanium(IV) phthalocyanine

Conditions

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;

: 57-13-6
urea

: 91-15-6
phthalonitrile

: 26201-32-1
oxotitanium(IV) phthalocyanine

Conditions

Conditions	Yield
With tetrabutoxytitanium In nonyl alcohol at 160 - 170℃; for 0.1 - 6h; Product distribution / selectivity; Microwave and ultrasonic energy;

: 160956-25-2, 160956-26-3, 160956-27-4, 160956-28-5, 160956-29-6
isoindole-1,3-diylidenediamine

: 26201-32-1
oxotitanium(IV) phthalocyanine

Conditions

Conditions	Yield
With quinoline; tetrabutoxytitanium at 170 - 180℃; for 0.1 - 6h; Product distribution / selectivity;

Titanyl phthalocyanine Chemical Properties

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

Titanyl phthalocyanine Safety Profile

Hazard Codes: Irritant 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 Specification

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].

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