5,10,15,20-Tetrakis(N-methyl-4-pyridyl)porphine tetratosylate supplier

Name
TMPYP
EINECS
CAS No. 36951-72-1
Article Data3
CAS DataBase
Density
Solubility
Melting Point >300℃
Formula C₇₂H₆₆N₈O₁₂S₄
Boiling Point
Molecular Weight 1363.63
Flash Point
Transport Information
Appearance
Safety 26-36/37
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 4,4',4'',4'''-Porphyrin-5,10,15,20-tetrayltetrakis(1-methylpyridinium) tetrakis(4-methylbenzenesulfonate);4-Methylbenzenesulfonate; 5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin;
PSA 334.14000
LogP 10.08380

5,10,15,20-Tetrakis(N-methyl-4-pyridyl)porphine tetratosylate Specification

The TMPYP, with the CAS registry number 3695-24-7 and EINECS registry number 36951-72-1, has the systematic name of 4,4',4'',4'''-porphyrin-5,10,15,20-tetrayltetrakis(1-methylpyridinium) tetrakis(4-methylbenzenesulfonate). And the molecular formula of the chemical is C₇₂H₆₆N₈O₁₂S₄.

The characteristics of TMPYP are as followings: (1)ACD/LogP: -2.64; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 8; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 51.16 Å².

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-]S(=O)(=O)c1ccc(cc1)C.[O-]S(=O)(=O)c1ccc(cc1)C.[O-]S(=O)(=O)c1ccc(cc1)C.[O-]S(=O)(=O)c1ccc(cc1)C.n1c6/C=C\c1c(c2cc[n+](cc2)C)c9nc(c(c7nc(c(c3cc[n+](cc3)C)c\4nc(/C=C/4)c6c5cc[n+](cc5)C)cc7)c8cc[n+]( cc8)C)cc9
(2)InChI: InChI=1/C44H37N8.4C7H8O3S/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;4*1-6-2-4-7(5-3-6)11(8,9)10/h5-28H,1-4H3,(H,45,46,47,48);4*2-5H,1H3,(H,8,9,10)/q+3;;;;/p-3/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;;;
(3)InChIKey: AKZFRMNXBLFDNN-ROWBUYHQBM

Product Name

TMPYP

5,10,15,20-Tetrakis(N-methyl-4-pyridyl)porphine tetratosylate Specification

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