Coumarin 500
Basic information
- CAS
52840-38-7- Standard SMILES
CCNc1ccc2c(C(F)(F)F)cc(=O)oc2c1- InChIKey
GZTMNDOZYLMFQE-UHFFFAOYSA-N- Molecular formula
- C12H10F3NO2
- Average molar mass
- 257.21 g/mol
- Monoisotopic mass
- 257.06636305
Overview
Coumarin 500 is a member of 7-aminocoumarins. It has a role as a fluorochrome.
Names & identifiers
- Preferred name
- Coumarin 500
- IUPAC
- 7-(ethylamino)-4-(trifluoromethyl)chromen-2-one
- English name
- Coumarin 500
- Molecular formula
- C12H10F3NO2
- Molecular weight
- 257.21
Names & synonyms
coumarin 50052840-38-77-(ethylamino)-4-(trifluoromethyl)-2H-chromen-2-oneAA4WB8B35M2H-1-Benzopyran-2-one, 7-(ethylamino)-4-(trifluoromethyl)-EINECS 258-216-8COUMARIN 500FDTXSID5068813CHEBI:517767-ethylamino-4-trifluoromethyl coumarin4-(TRIFLUOROMETHYL)-7-(ETHYLAMINO)COUMARIN7-(ETHYLAMINO)-4-(TRIFLUOROMETHYL)COUMARIN
Show more names
Coumarin500,lasergradeCoumarin 500, laser grade, pureCoumarin 500,98%,pure,laser gradeCoumarin 500, 98%, laser grade, pure7-ETHYLAMINO-4-TRIFLUOROMETHYLCOUMARIN7-(ethylamino)-4-(trifluoromethyl)-2-benzopyrone7-(ethylamino)-4-(trifluoromethyl)-1-benzopyran-2-one7-(ethylamino)-4-(trifluoromethyl)-2h-1-benzopyran-2-on
RefChem:128242DTXCID90413127(Ethylamino)4(trifluoromethyl)2benzopyrone7(Ethylamino)4(trifluoromethyl)2H1benzopyran2one2H1Benzopyran2one, 7(ethylamino)4(trifluoromethyl)258-216-87-(ethylamino)-4-(trifluoromethyl)chromen-2-one7-(Ethylamino)-4-(trifluoromethyl)-2H-1-benzopyran-2-one
Database identifiers
- CAS
52840-38-7- PubChem CID
- 104338
- DTXSID
DTXSID5068813- ChEBI
CHEBI:51776- UNII
- AA4WB8B35M
- EC Number
- 258-216-8
- Nikkaji
- J295.816C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 365
Experimental & physicochemical properties
Chemical ClassesDyes -> Coumarin Dyes
Physical DescriptionYellow crystals; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 158 · 158-159 °C
- Boiling point
- 324.9 · 324.9±42.0 °C(Predicted)
- Density
- 1.3164 · 1.3164 (estimate)
- pka
- 2.08 · 2.08±0.20(Predicted)
- FDA UNII
- 4 WB8B35M · AA4WB8B35M
- EPA Substance Registry System
- 2 H-1-Benzopyran-2-one, · 2H-1-Benzopyran-2-one, 7-(ethylamino)-4-(trifluoromethyl)- (52840-38-7)
- Hazard Codes
- Xn,T
- Risk Statements
- 36 · 36/37/38-20/21/22-25
- Safety Statements
- 37 · 37/39-26-45
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryAn irritant; Harmful by ingestion, inhalation, and skin absorption; [Acros Organics MSDS] See Coumarin.
Safety data
- tsca
- TSCA listed
- risk_code
- 36/37/38-20/21/22-25
- hazard_code
- Xn,T
- safety_code
- 37/39-26-45
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2H-1-Benzopyran-2-one, 7-(ethylamino)-4-(trifluoromethyl)-: INACTIVE
Applications
DescriptionCoumarin 500 is a prodigious and exceedingly efficacious compound frequently employed in the realm of biomedicine. This compound is known for its potential efficacy against various diseases, such as malignancies and cardiovascular diseases, and is endowed with unique chemical properties. The benefits of Coumarin 500 have an impact on pharmaceutical advancements and complex scientific inquiry, making it an indispensable tool for insightful biomedical practitioners.
Additional notes
DefinitionChEBI: Coumarin 500 is a member of 7-aminocoumarins. It has a role as a fluorochrome.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…