Meso-tetrakis(m-benzoic acid)porphin - ≥97% , CAS No.70152-54-4

CAS: 70152-54-4 Cat. No.: B300480 Molecular Weight: 790.77

GRADE & PURITY ≥97%

Synonyms

F75156 | 3,3',3'',3'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-Benzoic acid | 3,3',3'',3'''-(21H,23H-Porphine-5,10,15,20-tetrayl)tetrakis[benzoic acid] | Meso-tetra (3-carboxyphenyl) porphine | Benzoic acid,3,3',3'',3'''-(21H,23H-porphine-5,10,15,20

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

F75156 | 3, 3', 3'', 3'''-(21H, 23H-porphine-5, 10, 15, 20-tetrayl)tetrakis-Benzoic acid | 3, 3', 3'', 3'''-(21H, 23H-Porphine-5, 10, 15, 20-tetrayl)tetrakis[benzoic acid] | Meso-tetra (3-carboxyphenyl) porphine | Benzoic acid, 3, 3', 3'', 3'''-(21H, 23H-porphine-5, 10, 15, 20

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC(=C1)C(=O)O)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC(=CC=C7)C(=O)O)C8=CC(=CC=C8)C(=O)O)C=C4)C9=CC(=CC=C9)C(=O)O)N3
• IUPAC Name: 3-[10,15,20-tris(3-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
• InChIKey: KTDODSLHBMLUSL-UHFFFAOYSA-N
• INCHI: 1S/C48H30N4O8/c53-45(54)29-9-1-5-25(21-29)41-33-13-15-35(49-33)42(26-6-2-10-30(22-26)46(55)56)37-17-19-39(51-37)44(28-8-4-12-32(24-28)48(59)60)40-20-18-38(52-40)43(36-16-14-34(41)50-36)27-7-3-11-31(23-27)47(57)58/h1-24,49,52H,(H,53,54)(H,55,56)(H,57,58)(H,59,60)
• Isomeric SMILES: C1=CC(=CC(=C1)C(=O)O)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC(=CC=C7)C(=O)O)C8=CC(=CC=C8)C(=O)O)C=C4)C9=CC(=CC=C9)C(=O)O)N3
• Molecular Weight: 790.77
• Reaxy-Rn: 18019776
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18019776&ln=

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 790.800 g/mol
• XLogP3: 8.500
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 790.206 Da
• Monoisotopic Mass: 790.206 Da
• Topological Polar Surface Area: 207.000 Ų
• Heavy Atom Count: 60
• Formal Charge: 0
• Complexity: 1340.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1