Basic information
- CAS
38215-36-0- Standard SMILES
CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1- InChIKey
VBVAVBCYMYWNOU-UHFFFAOYSA-N- Molecular formula
- C20H18N2O2S
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.10889882
Overview
Coumarin 6 is a member of 7-aminocoumarins. It has a role as a fluorochrome.
Names & identifiers
- Preferred name
- Coumarin 6
- IUPAC
- 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one
- English name
- Coumarin 6
- Molecular formula
- C20H18N2O2S
- Molecular weight
- 350.43
Names & synonyms
Coumarin 638215-36-02H-1-Benzopyran-2-one, 3-(2-benzothiazolyl)-7-(diethylamino)-3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one48DU8Q9UAUNSC-290432DTXSID5068079CHEBI:51942NK-1858RefChem:128244DTXCID7039460253-830-2
Show more names
Coumarine 6Coumarin 6 ,98%COUMARIN 6, 99+%7-DiaminoheptaneExciton Coumarin 540Ethambutol Impurity 7COUMARIN 6, LASER GRADE
3-(2-Benzothiazolyl)-7-(diethylamino)coumarin3-(benzo[d]thiazol-2-yl)-7-(diethylamino)-2H-chromen-2-oneCoumarin VI3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-2H-chromen-2-oneMFCD000418693-(2-benzothiazolyl)-7-(diethylamino)-2h-1-benzopyran-2-oneNSC290432Coumarin 540
Database identifiers
- CAS
38215-36-0- PubChem CID
- 100334
- DTXSID
DTXSID5068079- ChEMBL
CHEMBL212037
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 534
Experimental & physicochemical properties
Chemical ClassesDyes -> Coumarin Dyes
Physical DescriptionRed crystalline solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 208 · 208-210 °C (lit.)
- Boiling point
- 570.1 · 570.1±60.0 °C(Predicted)
- Density
- 1.183 · 1.1830 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- DMF: soluble
- form
- Powder
- pka
- 2.98 · 2.98±0.20(Predicted)
- color
- Orange
- Water Solubility
- NEGLIGIBLE
- λmax
- 444 nm · 444 nm
- BRN
- 1085798 · 1085798
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
This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.
Warning
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 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 irritation; [Sigma-Aldrich MSDS] See Coumarin.
Hazard Classes and CategoriesAcute Tox. 4 (25%)
Safety data
- F
- 8
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29329990
- risk_code
- 20/21/22-36/37/38-34
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,C
- safety_code
- 22-24/25-37/39-26-45-36/37/39-27
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2H-1-Benzopyran-2-one, 3-(2-benzothiazolyl)-7-(diethylamino)-: ACTIVE
Applications
UsesCoumarin 6 has been used as a hydrophobic fluorescent dyein block copolymer (BCP)-based micelle based drug delivery studies in glioma cell linesin combination with flufenamic acid (FA) based nanoprodrug uptake in glioma cellsin poly(lactic-co-glycolic acid) (PLGA) based elvitegravir nanoprodrug uptake studies
UsesCoumarin 6 is a member of 7-aminocoumarins. It has a role as a fluorochrome,can be as a fluorescent model drug.
General DescriptionCoumarin 6 as fluorescence lifetime standards in fluorescence spectroscopy was reported to be the most stable for performing lifetime experiments.
Upstream & downstream products
Upstream raw materials
Related reactions
3 records
Compound notes
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