Coumarin 30
Basic information
- CAS
41044-12-6- Standard SMILES
CCN(CC)c1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1- InChIKey
KZFUMWVJJNDGAU-UHFFFAOYSA-N- Molecular formula
- C21H21N3O2
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.16337692
Overview
Tris(3-(trifluoromethyl)phenyl)antimony is a chemical compound of antimony. Antimony is a metallic element with the chemical symbol Sb and atomic number 51. Small amounts of antimony are found in the earth's crust. (L741, L808)
Names & identifiers
- Preferred name
- Coumarin 30
- IUPAC
- 7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one
- English name
- Coumarin 30
- Molecular formula
- C21H21N3O2
- Molecular weight
- 347.41
Names & synonyms
Coumarin 307-(Diethylamino)-3-(1-methyl-2-benzimidazolyl)coumarin2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)-CCRIS 49597-(Diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)-2-benzopyroneEINECS 255-186-8NSC 290433DTXSID6068272RefChem:579301DTXCID0039851255-186-87-(diethylamino)-4-(1-methyl-1H-benzimidazol-2-yl)-2H-chromen-2-one
Show more names
Coumarin 51COUMARIN 515546127-100MGExciton Coumarin 515Coumarin30,lasergradeCOUMARIN 30, DYE CONTENT 99%Coumarin 30,pure,laser gradeCoumarin 30 Dye content 99 %Coumarin 30, laser grade, pure
CHEBI:5193941044-12-67-(diethylamino)-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-2H-chromen-2-one7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one3-(2-N-Methylbenzimidazolyl)-7-N,N-diethylaminocoumarinMFCD00051349NSC290433CT7C6AR5DD
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 559
Experimental & physicochemical properties
Chemical ClassesDyes -> Coumarin Dyes
Physical DescriptionSolid; [MSDSonline]
Physicochemical properties
- Melting point
- 225 · 225-229 °C (lit.)
- Boiling point
- 588 · 588.0±60.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 4.7 · 4.70±0.10(Predicted)
- form
- powder to crystal
- color
- Light yellow to Yellow to Green
- Appearance
- Yellow Solid
- λmax
- 408 nm · 408nm(CH3CN)(lit.)
- InChI
- 1S/C21H21N3O2/c1-4-24(5-2)15-11-10-14-12-16(21(25)26-19(14)13-15)20-22-17-8-6-7-9-18(17)23(20)3/h6-13H,4-5H2,1-3H3
- InChIKey
- KZFUMWVJJNDGAU-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryMay cause skin and respiratory tract irritation; [MSDSonline] The 3 laser dyes tested for skin sensitization were found to be negative. [Blackwell Synergy - Contact Dermatitis, Volume 21, Issue 3, Page 141-147, September 1989] See Coumarin.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Toxicology
Treatment
Following oral exposure to antimony, administer charcoal as a slurry (240 mL water/30 g charcoal). Following inhalation exposure, move patient to fresh air. Monitor for respiratory distress. If cough or difficulty breathing develops, evaluate for respiratory tract irritation, bronchitis, or pneumonitis. Administer oxygen and assist ventilation as required. Treat bronchospasm with inhaled beta2 agonist and oral or parenteral corticosteroids. In case of eye exposure, irrigate exposed eyes with copious amounts of room temperature water for at least 15 minutes. Following dermal exposure, Remove contaminated clothing and wash exposed area thoroughly with soap and water. A physician may need to examine the area if irritation or pain persists. (T36)
Health Effects
Chemistry & industry
Pharmacology
Metabolism/Metabolites
Antimony is widely distributed throughout the body. The hair and skin contain the highest levels of antimony. The adrenal glands, lung, large intestine, trachea, cerebellum, and kidneys also contain relatively high levels of antimony. Blood is the main vehicle for the transport of absorbed antimony to various tissue compartments of the body. Antimony is a metal and, therefore, does not undergo catabolism. Antimony can covalently interact with sulfhydryl groups and phosphate, as well as numerous reversible binding interactions with endogenous ligands (e.g., proteins). It is not known if these interactions are toxicologically significant. Antimony is excreted via the urine and feces. Some of the fecal antimony may represent unabsorbed antimony that is cleared from the lung via mucociliary action into the esophagus to the gastrointestinal tract. (L741)
Uses & manufacturing
Uses
Coumarins are used as laser dyes. [Ullmann: Laser Dyes]
Breathing air, drinking water, and eating foods that contain antimony. Exposure can also occur through dermal or skin contact (L741).
General Manufacturing Information2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)-: ACTIVE
Applications
DescriptionCoumarin 515 is a renowned fluorescent dye extensively employed across the biomedicine sector to cater to diverse research needs. It showcases its eminence through robust fluorescence emission and unrivaled photostability. It effectively finds application in drug delivery system analyses, cellular imaging explorations, and biomarker detection studies. By investigating potential therapeutic pathways, coumarin 515 offers opportunities to combat diseases such as cancer, cardiovascular disease, and neurodegenerative diseases.
UsesCoumarin 30 is a laser dye for pulsed and CW operation.
Related reactions
0 records
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Compound notes
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