Structure

Solvent Red 197

CAS
52372-39-1
Catalog Number
ACM52372391-1
Category
Solvent Dyes
Molecular Weight
381.44
Molecular Formula
C23H19N5O

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Specification

Description
Alfa Chemistry offers high-purity Solvent Red 197 products for various research purposes. Please contact us by email if you do not find the specification you are looking for on this page.
Synonyms
3-(Diethylamino)-7-imino-7H-benzo[4,5]imidazo[1,2-a]chromeno[3,2-c]pyridine-6-carbonitrile
IUPAC Name
17-(diethylamino)-11-imino-14-oxa-3,10-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15(20),16,18-nonaene-12-carbonitrile
Canonical SMILES
CCN(CC)C1=CC2=C(C=C1)C=C3C(=C(C(=N)N4C3=NC5=CC=CC=C54)C#N)O2
InChI
InChI=1S/C23H19N5O/c1-3-27(4-2)15-10-9-14-11-16-21(29-20(14)12-15)17(13-24)22(25)28-19-8-6-5-7-18(19)26-23(16)28/h5-12,25H,3-4H2,1-2H3
InChI Key
FXFIDVQMNRVEGQ-UHFFFAOYSA-N
Boiling Point
557.8 ± 60.0 °C
Density
1.33 ± 0.1 g/ml
Appearance
Orange to Brown to Dark red powder to crystal
Application
Such coumarin dyes are useful for laser dyes emitting blue-green light.
Storage
-20 °C in the dark
Absorbance
(E1%1cm) min. 1200(Toluene, 542.0 to 546.0 nm)
Absorption Wavelength
(max.) 544(Toluene) nm
Complexity
803
Condition To Avoid
Light Sensitive
Covalently-Bonded Unit Count
1
EC Number
257-885-3
Exact Mass
381.15896g/mol
Features And Benefits
Coumarins are aromatic lactone compounds, many of which are found in natural plants. Coumarin compounds having an electron donating group at the 7-position show strong light absorption and emission, whereas unsubstituted coumarin compounds hardly emit light. This is because intramolecular charge transfer occurs when both electron-donating and electron-withdrawing groups are present in the coumarin molecule. The introduction of groups at the 3- or 4-position largely controls the wavelength of light absorption and emission. Furthermore, the introduction of electron-withdrawing groups at these positions can enhance the luminescence intensity.
Formal Charge
0
H-Bond Acceptor
5
H-Bond Donor
1
Heavy Atom Count
29
MDL Number
MFCD02176212
Monoisotopic Mass
381.15896g/mol
Packaging
1G-Glass Bottle with Plastic Insert (View image)
Physical State
(20 deg.C) Solid
Rotatable Bond Count
3
Storage Conditions
Store at room temperature and dry
XLogP3
3.8
What is the molecular formula of Solvent Red 197?

The molecular formula of Solvent Red 197 is C23H19N5O.

What are some synonyms for Solvent Red 197?

Some synonyms for Solvent Red 197 are C.I. Solvent Red 197 and 3-(Diethylamino)-7-imino-7H-benzo[4,5]imidazo[1,2-a]chromeno[3,2-c]pyridine-6-carbonitrile.

When was Solvent Red 197 created according to PubChem?

Solvent Red 197 was created on July 9, 2005, according to PubChem.

What is the InChIKey of Solvent Red 197?

The InChIKey of Solvent Red 197 is FXFIDVQMNRVEGQ-UHFFFAOYSA-N.

What is the molecular weight of Solvent Red 197?

The molecular weight of Solvent Red 197 is 381.4 g/mol.

What is the CAS number for Solvent Red 197?

The CAS number for Solvent Red 197 is 52372-39-1.

How many hydrogen bond donor counts does Solvent Red 197 have?

Solvent Red 197 has 1 hydrogen bond donor count.

What is the topological polar surface area of Solvent Red 197?

The topological polar surface area of Solvent Red 197 is 77.9 Ų.

How many rotatable bond counts does Solvent Red 197 have?

Solvent Red 197 has 3 rotatable bond counts.

What is the XLogP3-AA value of Solvent Red 197?

The XLogP3-AA value of Solvent Red 197 is 3.8.

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