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32195-55-4 molecular structure
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22-chloro-2,7,12,17-tetraphenyl-21,23,24,25-tetraaza-22-manganahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1(20),4,8,10,14,18-hexaene

ChemBase ID: 145309
Molecular Formular: C44H38ClMnN4
Molecular Mass: 713.190369
Monoisotopic Mass: 712.21654502
SMILES and InChIs

SMILES:
c1ccc(cc1)C1C2NC(C(c3n4c(C(C5NC(C(c6n(c1cc6)[Mn]4Cl)c1ccccc1)C=C5)c1ccccc1)cc3)c1ccccc1)C=C2
Canonical SMILES:
Cl[Mn]1n2c3ccc2C(C2C=CC(C(c4n1c(cc4)C(C1NC(C3c3ccccc3)C=C1)c1ccccc1)c1ccccc1)N2)c1ccccc1
InChI:
InChI=1S/C44H38N4.ClH.Mn/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;;/h1-28,33,35,38,40-45,48H;1H;/q-2;;+3/p-1
InChIKey:
QIVOWIMNIQBKLE-UHFFFAOYSA-M

Cite this record

CBID:145309 http://www.chembase.cn/molecule-145309.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
22-chloro-2,7,12,17-tetraphenyl-21,23,24,25-tetraaza-22-manganahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1(20),4,8,10,14,18-hexaene
IUPAC Traditional name
22-chloro-2,7,12,17-tetraphenyl-21,23,24,25-tetraaza-22-manganahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1(20),4,8,10,14,18-hexaene
Synonyms
meso-Tetraphenylporphyrin manganese(III) chloride complex
5,10,15,20-Tetraphenyl-21H,23H-porphine manganese(III) chloride
meso-Tetraphenylporphyrin manganese(III)-chloride complex
Chloride ionophore I
内消旋-四苯基卟啉氯化锰(III)络合物
5,10,15,20-四苯基-21H,23H-卟吩氯化锰(III)
5,10,15,20-四苯基-21H,23H-卟吩氯化锰
氯离子载体 I
CAS Number
32195-55-4
MDL Number
MFCD00012153
Beilstein Number
5699425
PubChem SID
24855405
24854966

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Sigma Aldrich 254754 external link Add to cart 24897 external link Add to cart
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.041325197  LogD (pH = 7.4) 1.0716363 
Log P 7.2295  Molar Refractivity 204.9937 cm3
Polarizability 80.28249 Å3 Polar Surface Area 33.92 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Absorption Wavelength
λmax 583 nm (2nd) expand Show data source
λmax 618 nm expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
Grade
Selectophore™ expand Show data source
Empirical Formula (Hill Notation)
C44H28ClMnN4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 254754 external link
Packaging
500 mg in glass bottle
Sigma Aldrich - 24897 external link
General description
Visit our Sensor Applications portal to learn more.
Other Notes
Chloride ionophore used in a cellulose acetate membrane electrode1
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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