Chlorin E6 | CAS No. 19660-77-6

Chlorin E6

Basic Information

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CAS Number

19660-77-6

Molecular Formula

C34H36N4O6

Molecular Weight

596.7 g/mol

EINECS

243-209-4

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

Physical State

Black

Boiling Point

1093.7±60.0 °C(Predicted)

Density

1.306±0.06 g/cm3(Predicted)

Flash Point

587.8 °C

Solubility

DMSO (Slightly), Isopropanol (Slightly, Heated, Sonicated)

Refractive Index

1.674

Specific Rotation

D20 -141° in acetone

SMILES

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CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)O)CC(=O)O)CCC(=O)O)C)C)C=C)C

InChI

InChI=1S/C34H36N4O6/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23/h7,12-14,17,21,35-36H,1,8-11H2,2-6H3,(H,39,40)(H,41,42)(H,43,44)/t17-,21-/m0/s1

InChIKey

OYINILBBZAQBEV-UWJYYQICSA-N

LogP

6.531540000000006

Topological Polar Surface Area

169.26 Å²

Hydrogen Bond Donor/Acceptor

5 / 10

Complexity

1090

Synonyms & References

English

21H,23H-Porphine-7-propanoic acid,3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-, (7S,8S)-
Q-101877
SCHEMBL13806508
AS-75137
(7S,8S)-7-(2-carboxyethyl)-5-(carboxymethyl)-18-ethyl-2,8,12,17-tetramethyl-13-vinyl-7H,8H-porphyrin-3-carboxylic acid
21H,23H-Porphine-7-propanoic acid, 3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-, (7S,8S)-
EINECS 243-209-4
PHYTOCHLORIN [WHO-DD]
AKOS025401593
Chlorin e6
21H,23H-Porphine-2-propanoic acid, 18-carboxy-20-(carboxymethyl)-8-ethenyl-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-,(2S-trans)-
E78640
21H,23H-Porphine-2-propanoic acid, 18-carboxy-20-(carboxymethyl)-8-ethenyl-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-, (2S-trans)-
(2S-trans)-18-Carboxy-20-(carboxymethyl)-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-8-vinyl-21H,23H-porphine-2-propionic acid
CS-0007379
chlorine e6
Chlorine a6
(1Z,4Z,9Z,15Z,17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-7-ethyl-3,8,13,17-tetramethyl-12-vinyl-17,18,21,23-tetrahydroporphyrin-2-carboxylic acid
PHYTOCHLORINE E6
PHYTOCHLORIN
Photolon
2-[(7S,8S)-3-Carboxy-7-(2-carboxyethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphin-5-yl]acetic acid
Chlorin-e6
VAJLRIOJDADNAT-UWJYYQICSA-N
SCHEMBL119595
AC-22575
PHYTOCHLORIN E6
(7s,8s)-13-vinyl-5-(carboxymethyl)-7-(2-carboxyethyl)-2,8,12,17-tetramethyl-18-ethyl-7h,8h-porphyrin-3-carboxylic acid
5S2CCF3T1Z
(7S,8S)-3-Carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphine-7-propanoic acid
DTXSID70885088

MDL Number

MFCD08669566

EC Number

243-209-4

Customs Code

2933998090

FAQ

What regulatory guidelines apply to Chlorin E6 (CAS: 19660-77-6)?

Chlorin E6 (CAS: 19660-77-6) is regulated by the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which requires specific hazard communication elements such as labels and safety data sheets. Additionally, it must comply with the REACH regulations in the European Union, which cover the production and placement of chemical substances on the market. In the United States, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) may also have specific requirements for its handling and use.

Are there alternatives to Chlorin E6 (CAS: 19660-77-6) in synthesis?

There are several alternatives to Chlorin E6 (CAS: 19660-77-6) that can be used in synthesis, depending on the specific application. For example, other chlorins or porphyrins might be used. Isomers of Chlorin E6 or other analogs with similar chemical structures and properties can also serve as viable alternatives.

What is the market or research trend for Chlorin E6 (CAS: 19660-77-6)?

The market for Chlorin E6 (CAS: 19660-77-6) is growing due to its applications in biophotonics and as a photosensitizer in photodynamic therapy. Research trends are focusing on its use in biomedical imaging and therapy, as well as in the development of new photodynamic agents. The increasing demand in these fields is driving market growth and innovation.

How should waste containing Chlorin E6 (CAS: 19660-77-6) be handled?

Waste containing Chlorin E6 (CAS: 19660-77-6) should be collected in appropriate containers and stored in a well-ventilated area away from heat and ignition sources. It should be disposed of through a professional waste disposal service that handles hazardous chemicals. Environmental protection precautions should include proper labeling and adherence to local, state, and federal regulations regarding hazardous waste disposal.