4,4',4'',4'''-(5,10,15,20-Porphyrintetrayl)tetrabenzoic acid

Basic Information

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CAS Number

14609-54-2

Molecular Formula

C48H30N4O8

Molecular Weight

790.79 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

No data available

Boiling Point

No data available

Density

1.4620

Flash Point

No data available

Refractive Index

1.734

SMILES

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C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=O)O)C8=CC=C(C=C8)C(=O)O)C=C4)C9=CC=C(C=C9)C(=O)O)N3)C(=O)O

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-

InChIKey

HHDUMDVQUCBCEY-LWQDQPMZSA-N

LogP

10.116399999999999

Topological Polar Surface Area

206.55999999999995 Å²

Hydrogen Bond Donor/Acceptor

6 / 12

Complexity

1310

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

A884555
F14788
AKOS027320385
meso-tetra(4-carboxyphenyl)porphyrin
SY014907
SCHEMBL709532
4,4',4'',4'''-(Porphine-5,10,15,20-tetrayl)tetrakis(benzoic acid), Dye content 75 %
Tetrakis(4-carboxyphenyl)porphyrin
5,10,15,20-Tetrakis(4-carboxyphenyl)-21H,23H-porphine
tetra(4-carboxyphenyl)porphine
4-[7,12,17-tris(4-carboxyphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]benzoic acid
14609-54-2
Tetracarboxyphenylporphine
Benzoic acid, 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-
CYPATH
BCP10890
5,10,15,20-tetra(4-carboxyphenyl)porphine
Tetrakis (4-carboxyphenyl) porphyrin
J207.982H
Q27277036
MTCPP
meso-Tetraphenylporphine-4,4',4'',4'''-tetracarboxylic acid
4,4,4,4-(POrphine-5,10,15,20-tetrayl)tetrakis(benzoic acid)
BDBM50247530
4-[(1Z,4Z,9Z,15Z)-10,15,20-tris(4-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
MFCD00064860
YSZC167
CS-W009568
meso-Tetra(4-carboxyphenyl)porphine
AMY11695
CCRIS 8701