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Benzoic acid,4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis- (14609-54-2)

Identification
Name:Benzoic acid,4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-
Synonyms:Benzoicacid, 4,4',4'',4'''-(5,10,15,20-porphinetetrayl)tetra- (8CI);4,4',4'',4'''-(21H,23H-Porphine-5,10,15,20-tetrayl)tetrakis(benzoicacid);5,10,15,20-Tetrakis(4-carboxyphenyl)porphine;5,10,15,20-Tetrakis(4-carboxyphenyl)porphyrin;TCPP;TCPP (porphinederivative);Tetra(4-carboxyphenyl)porphine;Tetra(4-carboxyphenyl)porphyrin;Tetra(p-carboxyphenyl)porphyrin;Tetrakis(4-carboxyphenyl)porphine;Tetrakis(4-carboxyphenyl)porphyrin;Tetrakis(p-carboxyphenyl)porphine;Tetrakis(p-carboxyphenyl)porphyrin;meso-Tetra(4-carboxyphenyl)porphine;meso-Tetra(p-carboxyphenyl)porphine;meso-Tetra(p-carboxyphenyl)porphyrin;meso-Tetrakis(4-carboxyphenyl)porphine;meso-Tetrakis(4-carboxyphenyl)porphyrin;meso-Tetrakis(p-carboxyphenyl)porphine;meso-Tetrakis(p-carboxyphenyl)porphyrin;a,b,g,d-Tetrakis(4-carboxyphenyl)porphine;
CAS:14609-54-2
Molecular Formula: C48H30N4O8
Molecular Weight: 790.77
InChI: InChI=1/C48H30N4O8/c53-45(54)29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(12-4-26)46(55)56)37-21-23-39(51-37)44(28-7-15-32(16-8-28)48(59)60)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(14-6-27)47(57)58/h1-24,49,52H,(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
Molecular Structure: (C48H30N4O8) Benzoicacid, 4,4',4'',4'''-(5,10,15,20-porphinetetrayl)tetra- (8CI);4,4',4'',4'''-(21H,23H-Porphine-...
Properties
Density:1.462 g/cm3
Refractive index:1.734
Appearance:purple powder
Specification:

The cas register number of meso-Tetra(4-carboxyphenyl)porphine is 14609-54-2. It also can be called as Benzoic acid, 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis- and the Systematic name about this chemical is 4-[10,15,20-tris(4-carboxyphenyl)-21,24-dihydroporphyrin-5-yl]benzoic acid.

Physical properties about meso-Tetra(4-carboxyphenyl)porphine are: (1)ACD/LogP: 7.54; (2)# of Rule of 5 Violations: 4; (3)#H bond acceptors: 12; (4)#H bond donors: 6; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 206.56Å2; (7)Index of Refraction: 1.734; (8) Molar Refractivity: 216.672 cm3; (9)Molar Volume: 540.517 cm3; (10)Surface Tension: 79.865 dyne/cm; (11)Density: 1.463 g/cm3.

When you are using this chemical, please be cautious about it as the following:
People do not breathe dust and avoid contact with skin and eyes.

People can use the following data to convert to the molecule structure.
1.SMILES: OC(=O)c1ccc(cc1)c7c2\C=C/c(n2)c(c3nc(cc3)c(c\4nc(/C=C/4)c(c5ccc(cc5)C(O)=O)c6ccc7n6)c8ccc(cc8)C(O)=O)c9ccc(cc9)C(O)=O
2.InChI: InChI=1/C48H30N4O8/c53-45(54)29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(12-4-26)46(55)56)37-21-23-39(51-37)44(28-7-15-32(16-8-28)48(59)60)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(14-6-27)47(57)58/h1-24,49,52H,(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40- 
3.InChIKey: HHDUMDVQUCBCEY-LWQDQPMZBG
4.Std. InChI: InChI=1S/C48H30N4O8/c53-45(54)29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(12-4-26)46(55)56)37-21-23-39(51-37)44(28-7-15-32(16-8-28)48(59)60)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(14-6-27)47(57)58/h1-24,49,52H,(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-.

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