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Octaethylporphyrin

Octaethylporphyrin structure

CAS No:
2683-82-1
Formula:
C36H46N4
Chemical Name:
Octaethylporphyrin
Synonyms:
21H,23H-Porphine,2,3,7,8,12,13,17,18-octaethyl-;Porphine,2,3,7,8,12,13,17,18-octaethyl-;Porphine,1,2,3,4,5,6,7,8-octaethyl-;2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine;Octaethylporphyrin;1,2,3,4,5,6,7,8-Octaethylporphyrin;Octaethylporphine;2,3,7,8,12,13,17,18-Octaethylporphyrin;2,3,7,8,12,13,17,18-Octaetioporphyrin;106117-28-6;991-75-3
Categories:
Dyes and Pigments > Pigment

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Description

dark purple crystals or crystalline powder

Octaethylporphyrin is a member of porphyrins.

Octaethylporphyrin Basic Attributes

Molecular Weight：

534.78

Exact Mass：

534.78

EC Number：

220-243-8

DSSTox ID：

DTXSID2062589

HScode：

29339900

Characteristics

PSA：

57.4

XLogP3：

8.5

Appearance：

dark purple crystals or crystalline powder

Density：

1.1±0.1 g/cm3

Melting Point：

>300 °C

Boiling Point：

649.8ºC at 760 mmHg

Flash Point：

332.9±25.8 °C

Refractive Index：

1.575

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25-22

Drug Information

MeSH Entry Terms：

octaethylporphyrin

Octaethylporphyrin Use and Manufacturing

Manufacturing Info：

21H,23H-Porphine, 2,3,7,8,12,13,17,18-octaethyl-: ACTIVE

Computed Properties

Molecular Weight:534.8
XLogP3:8.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:534.37224748
Monoisotopic Mass:534.37224748
Topological Polar Surface Area:57.4
Heavy Atom Count:40
Complexity:725
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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