Product Name

  • Name

    Titanyl phthalocyanine

  • EINECS 419-970-5
  • CAS No. 26201-32-1
  • Article Data24
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point 395.1 °C (dec.)(lit.)
  • Formula C32H16N8OTi
  • Boiling Point
  • Molecular Weight 576.412
  • Flash Point
  • Transport Information
  • Appearance
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 26201-32-1 (Titanyl phthalocyanine)
  • Hazard Symbols IrritantXi
  • 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;
  • PSA 101.09000
  • LogP 1.34560

Synthetic route

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

dichloro(phthalocyaninato)titanium(IV)

water
7732-18-5

water

oxotitanium(IV) phthalocyanine
26201-32-1

oxotitanium(IV) phthalocyanine

Conditions
ConditionsYield
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;
titanium tetrachloride
7550-45-0

titanium tetrachloride

phthalonitrile
91-15-6

phthalonitrile

oxotitanium(IV) phthalocyanine
26201-32-1

oxotitanium(IV) phthalocyanine

Conditions
ConditionsYield
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
160956-25-2, 160956-26-3, 160956-27-4, 160956-28-5, 160956-29-6

isoindole-1,3-diylidenediamine

titanium tetra-n-propoxide
3087-37-4

titanium tetra-n-propoxide

phthalonitrile
91-15-6

phthalonitrile

oxotitanium(IV) phthalocyanine
26201-32-1

oxotitanium(IV) phthalocyanine

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

tetrabutoxytitanium

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

isoindole-1,3-diylidenediamine

oxotitanium(IV) phthalocyanine
26201-32-1

oxotitanium(IV) phthalocyanine

B

butan-1-ol
71-36-3

butan-1-ol

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

oxotitanium(IV) phthalocyanine

oxotitanium(IV) phthalocyanine

Conditions
ConditionsYield
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
1208497-30-6, 16903-42-7

dichlorotitanium phthalocyanine

oxotitanium(IV) phthalocyanine
26201-32-1

oxotitanium(IV) phthalocyanine

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

tetrabutoxytitanium

phthalonitrile
91-15-6

phthalonitrile

oxotitanium(IV) phthalocyanine
26201-32-1

oxotitanium(IV) phthalocyanine

Conditions
ConditionsYield
With pentan-1-ol; benzamide In xylene at 144℃; for 6h; Heating / reflux;
oxygen
80937-33-3

oxygen

titanium tetrachloride
7550-45-0

titanium tetrachloride

phthalonitrile
91-15-6

phthalonitrile

oxotitanium(IV) phthalocyanine
26201-32-1

oxotitanium(IV) phthalocyanine

Conditions
ConditionsYield
In 1-Chloronaphthalene at 25 - 210℃; for 5h;
In Diphenylmethane; 1,1,2,2-tetrachloroethane at 40 - 210℃; for 6 - 8h; Product distribution / selectivity;
...Expand
urea
57-13-6

urea

phthalonitrile
91-15-6

phthalonitrile

oxotitanium(IV) phthalocyanine
26201-32-1

oxotitanium(IV) phthalocyanine

Conditions
ConditionsYield
With tetrabutoxytitanium In nonyl alcohol at 160 - 170℃; for 0.1 - 6h; Product distribution / selectivity; Microwave and ultrasonic energy;
isoindole-1,3-diylidenediamine
160956-25-2, 160956-26-3, 160956-27-4, 160956-28-5, 160956-29-6

isoindole-1,3-diylidenediamine

oxotitanium(IV) phthalocyanine
26201-32-1

oxotitanium(IV) phthalocyanine

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

tetrabutoxytitanium

4,5-dichlorophthalonitrile
139152-08-2

4,5-dichlorophthalonitrile

phthalonitrile
91-15-6

phthalonitrile

oxotitanium(IV) phthalocyanine
26201-32-1

oxotitanium(IV) phthalocyanine

C32H14Cl2N8OTi

C32H14Cl2N8OTi

Conditions
ConditionsYield
With benzamide In pentan-1-ol; xylene Reflux;
...Expand
tetrabutoxytitanium

tetrabutoxytitanium

urea
57-13-6

urea

phthalonitrile
91-15-6

phthalonitrile

oxotitanium(IV) phthalocyanine
26201-32-1

oxotitanium(IV) phthalocyanine

Conditions
ConditionsYield
With tin(IV) chloride In octanol at 155 - 159℃; for 6h; Inert atmosphere;22.77 g
...Expand
oxotitanium(IV) phthalocyanine
26201-32-1

oxotitanium(IV) phthalocyanine

2,6-diisopropylphenyl isocyanate
28178-42-9

2,6-diisopropylphenyl isocyanate

(2,6-diisopropylphenylimido)phthalocyaninatotitanium(IV)
1276014-86-8

(2,6-diisopropylphenylimido)phthalocyaninatotitanium(IV)

Conditions
ConditionsYield
In further solvent(s) byproducts: CO2; under N2; mixt. of Ti complex and ((CH3)2CH)2C6H3NCO (20-fold excess) inchloronaphthalene heated at 180°C for 6 h, released CO2 replaced by N2 from time to time; mixt. cooled, pptn. by addn. of hexane, solid filtered off, extd. repeatedly with MeCN and toluene (10x50 mL each) under reflux, washed with pentane, dried at 120°C under vac. for 3 h; elem. anal.;83%
oxotitanium(IV) phthalocyanine
26201-32-1

oxotitanium(IV) phthalocyanine

p-Tolylisocyanate
622-58-2

p-Tolylisocyanate

(N,N'-di(p-tolyl)ureato-κ2N,N')phthalocyaninatotitanium(IV)
1217488-65-7

(N,N'-di(p-tolyl)ureato-κ2N,N')phthalocyaninatotitanium(IV)

Conditions
ConditionsYield
In further solvent(s) byproducts: CO2; under N2; mixt. of Ti complex and p-tolyl isocyanate in chloronaphthalene heated at 180°C for 6 h, released CO2 replaced by N2 from time to time; soln. cooled, pptn. by addn. of hexane, solid filtered off, extd. with rMeCN and toluene (10x50 mL each) under reflux, washed with pentane, dried at 120°C under vac. for 3 h; elem. anal.;76%
In further solvent(s) according to Darwish, W. et al., Acta Cryst. E61 2005, m1280-1282; Darwish, W., Dissertation, Philipps University, Marburg, Germany, 2006; solvent: chloronaphthalene;
oxotitanium(IV) phthalocyanine
26201-32-1

oxotitanium(IV) phthalocyanine

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

Conditions
ConditionsYield
With fluorenone radical anion sodium contact ion pair In 1,2-dichloro-benzene at 80℃; for 24h;74%

Conditions
ConditionsYield
In further solvent(s) byproducts: CO2; under N2; mixt. of Ti complex and mesityl isocyanate in chloronaphthalene heated at 180°C for 6 h, released CO2 replaced by N2 from time to time; soln. cooled, pptn. by addn. of hexane, solid filtered off, extd. with rMeCN and toluene (10x50 mL each) under reflux, washed with pentane, dried at 120°C under vac. for 3 h; elem. anal.;73%
oxotitanium(IV) phthalocyanine
26201-32-1

oxotitanium(IV) phthalocyanine

tetrahexylammonium bromide
4328-13-6

tetrahexylammonium bromide

1,2-dichloro-benzene
95-50-1

1,2-dichloro-benzene

C32H16N8OTi(1-)*C24H52N(1+)*C6H4Cl2

C32H16N8OTi(1-)*C24H52N(1+)*C6H4Cl2

Conditions
ConditionsYield
With fluorenone radical anion sodium contact ion pair at 80℃; for 24h;66%
...Expand
oxotitanium(IV) phthalocyanine
26201-32-1

oxotitanium(IV) phthalocyanine

triptycene
477-75-8

triptycene

tetramethylphosphonium bromide
4519-28-2

tetramethylphosphonium bromide

1,2-dichloro-benzene
95-50-1

1,2-dichloro-benzene

Conditions
ConditionsYield
Stage #1: oxotitanium(IV) phthalocyanine; tetramethylphosphonium bromide; 1,2-dichloro-benzene With fluorenone radical anion sodium contact ion pair at 100℃; for 2h; Glovebox; Inert atmosphere;
Stage #2: triptycene In benzonitrile at 20 - 100℃; for 3h;		65%
...Expand

sulfido(phthalocyaninato)titanium(IV)

sulfido(phthalocyaninato)titanium(IV)

Conditions
ConditionsYield
With triphenylphosphine In further solvent(s) (N2); Schlenk techniques; phthalocyanine deriv. and P4S10 heated in chloronaphthalene at 160°C for 10 h; pptd. by addn. of hexane; washedby extn. with refluxing MeCN, toluene; washed with pentane; dried at 12 0.degre.C for 1 h under 1E-3 mbar; heated with triphenylphosphine to a melt at 160°C for 4 h; washedwith refluxing MeCN, toluene; washed with ether; dried at 120.degre.C f or 1 h under 1E-3 mbar;57%
oxotitanium(IV) phthalocyanine
26201-32-1

oxotitanium(IV) phthalocyanine

4-aza-1-methylazoniabicyclo<2.2.2>octane iodide
14968-74-2

4-aza-1-methylazoniabicyclo<2.2.2>octane iodide

C32H16N8OTi(1-)*C7H15N2(1+)*C20H14

C32H16N8OTi(1-)*C7H15N2(1+)*C20H14

Conditions
ConditionsYield
With fluorenone radical anion sodium contact ion pair In 1,2-dichloro-benzene at 100℃; for 24h;43%
oxotitanium(IV) phthalocyanine
26201-32-1

oxotitanium(IV) phthalocyanine

4-aza-1-methylazoniabicyclo<2.2.2>octane iodide
14968-74-2

4-aza-1-methylazoniabicyclo<2.2.2>octane iodide

Conditions
ConditionsYield
With fluorenone radical anion sodium contact ion pair In 1,2-dichloro-benzene at 100℃; for 24h;38%

4-aza-1-methylazoniabicyclo<2.2.2>octane iodide
14968-74-2

4-aza-1-methylazoniabicyclo<2.2.2>octane iodide

C32H16N8OTi(1-)*C7H15N2(1+)*C20H14

C32H16N8OTi(1-)*C7H15N2(1+)*C20H14

Conditions
ConditionsYield
Stage #1: oxotitanium(IV) phthalocyanine; N-methyl-1,4-diazabicyclo<2.2.2>octanium iodide With fluorenone radical anion sodium contact ion pair In 1,2-dichloro-benzene at 100℃; for 24h;
Stage #2: triptycene In benzonitrile; 1,2-dichloro-benzene at 20℃; for 4h;		27%
...Expand
oxotitanium(IV) phthalocyanine
26201-32-1

oxotitanium(IV) phthalocyanine

haematoxylin
1621-46-1, 17647-60-8, 98092-70-7, 517-28-2

haematoxylin

((C32H16N8)Ti)2C16H9O(OH)(O)4

((C32H16N8)Ti)2C16H9O(OH)(O)4

Conditions
ConditionsYield
In further solvent(s) Ti-complex was dissolved in 1-chloronaphthalene at 180°C under N2, hematoxylin was added, the soln. was stirred for 15 min; filtd., hexane was added to induce pptn., ppt. was collected and recrystd. from 1-chloronaphthalene/MeOH;19.1%
oxotitanium(IV) phthalocyanine
26201-32-1

oxotitanium(IV) phthalocyanine

gallium phthalocyanine hydroxide
63371-84-6

gallium phthalocyanine hydroxide

μ-oxogallium phthalocyanine

μ-oxogallium phthalocyanine

PcGa-O-TiPc

PcGa-O-TiPc

...Expand

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

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: IrritantXi
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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