gallium(III) 5,10,15,20-(tetraphenyl)porphyrin chloride

• CAS: 78833-52-0
• Catalog Number: ACM78833520
• Category: Porphyrins and Phthalocyanines
• Molecular Weight: 717.91
• Molecular Formula: C44H28ClGaN4
• Description: Gallium(III) 5-10-15-20-(tetraphenyl)porphyrin chloride (GaTPPCl) is an organometallic compound that is widely used in the scientific research community. It is a chlorinated porphyrin complex.
• IUPAC Name: 22-chloro-2,7,12,17-tetraphenyl-21,23,24,25-tetraza-22-gallahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1(20),2,4,6(25),7,9,11,13(24),14,16,18-undecaene
• Canonical SMILES: C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC5=C(C6=NC(=C(C7=CC=C2N7[Ga](N45)Cl)C8=CC=CC=C8)C=C6)C9=CC=CC=C9)C1=CC=CC=C1
• InChI: InChI=1S/C44H28N4.ClH.Ga/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;;/h1-28H;1H;/q-2;;+3/p-1
• InChI Key: CYNJWPJXZCABKS-UHFFFAOYSA-M
• Solubility: Organo-soluble
• Appearance: Purple solid
• Application: Gallium(III) 5-10-15-20-(tetraphenyl)porphyrin chloride is widely used in scientific research, particularly in the fields of photochemistry, biochemistry, and nanotechnology. In photochemistry, gallium(III) 5-10-15-20-(tetraphenyl)porphyrin chloride is used as a photosensitizer in the synthesis of other organometallic compounds, such as gallium(III) 5-10-15-20-tetraphenylporphyrinato-diethylenetriamine (GaTPP-DETA). In biochemistry, gallium(III) 5-10-15-20-(tetraphenyl)porphyrin chloride is used as a catalyst in the synthesis of proteins, and it has been used to study the structure and function of proteins. In nanotechnology, gallium(III) 5-10-15-20-(tetraphenyl)porphyrin chloride is used as a building block for the fabrication of nanostructures, such as nanowires and nanotubes.
• Storage: Room temperature
• Shipping: Standard

Case Study

Synthesis of Stable Gallium Hydride Compound [Ga(TPP)H] from Ga(TPP)Cl

Feng Y, et al. Inorganic Chemistry Communications, 2003, 6(5): 466-468.

The macrocyclic ligand tetraphenylporphyrin is used as the coordinating reagent to stabilize the gallium hydride compound, which is widely used in the fields of organic synthesis (as a precursor and reducing agent for solid materials such as gallium nitride) and chemical vapor deposition.
Synthesis procedure of Ga(TPP)H
· To a solution of gallium(III) 5,10,15,20-(tetraphenyl)porphyrin chloride (Ga(TPP)Cl, 200 mg, 0.28 mmol) in N;N-dimethylformamide (DMF) (100 ml), sodium borohydride (30 mg, 0.79 mmol) was added. With the addition of sodium borohydride, the color of the solution changed from red to green gradually and green precipitate was formed in the reaction mixture.
· The reaction system was vigorously stirred at room temperature for 1 h, then the resulting reaction mixture was filtered and the green crystalline 1 was obtained (160 mg, yield: 85%) after thoroughly washed with distilled water and methanol.

Custom Q&A

What is the molecular formula of Gallium(III) 5,10,15,20-(tetraphenyl)porphyrin chloride?

The molecular formula is C44H28ClGaN4.

What is the molecular weight of Gallium(III) 5,10,15,20-(tetraphenyl)porphyrin chloride?

The molecular weight is 717.9 g/mol.

What is the IUPAC name of Gallium(III) 5,10,15,20-(tetraphenyl)porphyrin chloride?

The IUPAC name is 22-chloro-2,7,12,17-tetraphenyl-21,23,24,25-tetraza-22-gallahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1(20),2,4,6(25),7,9,11,13(24),14,16,18-undecaene.

What is the InChI of Gallium(III) 5,10,15,20-(tetraphenyl)porphyrin chloride?

The InChI is InChI=1S/C44H28N4.ClH.Ga/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;;/h1-28H;1H;/q-2;;+3/p-1.

What is the InChIKey of Gallium(III) 5,10,15,20-(tetraphenyl)porphyrin chloride?

The InChIKey is CYNJWPJXZCABKS-UHFFFAOYSA-M.

What is the canonical SMILES of Gallium(III) 5,10,15,20-(tetraphenyl)porphyrin chloride?

The canonical SMILES is C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC5=C(C6=NC(=C(C7=CC=C2N7[Ga](N45)Cl)C8=CC=CC=C8)C=C6)C9=CC=CC=C9)C1=CC=CC=C1.

How many hydrogen bond donor counts does Gallium(III) 5,10,15,20-(tetraphenyl)porphyrin chloride have?

It has 0 hydrogen bond donor counts.

What is the topological polar surface area of Gallium(III) 5,10,15,20-(tetraphenyl)porphyrin chloride?

The topological polar surface area is 32.9Ų.

How many rotatable bond counts does Gallium(III) 5,10,15,20-(tetraphenyl)porphyrin chloride have?

It has 4 rotatable bond counts.

Is Gallium(III) 5,10,15,20-(tetraphenyl)porphyrin chloride considered canonicalized?

Yes, the compound is canonicalized according to PubChem.