-
Name
2-[(1E,3Z)-3-Chloro-5-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-1,3,3-trimethyl-3H-indolium iodide
- EINECS
- CAS No. 119569-97-0
- Article Data5
- CAS DataBase
- Density
- Solubility
- Melting Point
- Formula C27H30ClIN2
- Boiling Point
- Molecular Weight 544.906
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 2-[3-Chloro-5-(1,3,3-trimethyl-2-indolinylidene)-1,3-pentadienyl]-1,3,3-trimethyl-3H-indoliumiodide (6CI);3H-Indolium,2-[3-chloro-5-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3-pentadienyl]-1,3,3-trimethyl-,iodide (9CI);
- PSA 6.25000
- LogP 3.71080
2-[(1E,3Z)-3-Chloro-5-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-1,3,3-trimethyl-3H-indolium iodide Specification
The 2-[(1E,3Z)-3-Chloro-5-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-1,3,3-trimethyl-3H-indolium iodide, with the CAS number 119569-97-0, is also called 3H-Indolium,2-[3-chloro-5-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-1,3,3-trimethyl-,iodide (1:1). The systematic name is 2-[(1E,3Z,5E)-3-chloro-5-(1,3,3-trimethylindolin-2-ylidene)penta-1,3-dienyl]-1,3,3-trimethyl-indol-1-ium iodide. Its molecular formula is C27H30ClIN2.
You can still convert the following datas into molecular structure:
(1)SMILES: CC1(c2ccccc2[N+](=C1C=CC(=CC=C3C(c4ccccc4N3C)(C)C)Cl)C)C.[I-]
(2)InChI: InChI=1/C27H30ClN2.HI/c1-26(2)20-11-7-9-13-22(20)29(5)24(26)17-15-19(28)16-18-25-27(3,4)21-12-8-10-14-23(21)30(25)6;/h7-18H,1-6H3;1H/q+1;/p-1
(3)InChIKey: LALXFJVJPCWWQU-REWHXWOFAT
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