Coumarin 2
Basic information
- CAS
26078-25-1- Standard SMILES
CCNc1cc2oc(=O)cc(C)c2cc1C- InChIKey
QZXAEJGHNXJTSE-UHFFFAOYSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.11027872
Names & identifiers
- Preferred name
- Coumarin 2
- IUPAC
- 7-(ethylamino)-4,6-dimethylchromen-2-one
- English name
- Coumarin 2
- Molecular formula
- C13H15NO2
- Molecular weight
- 217.26
Names & synonyms
Coumarin 226078-25-17-(Ethylamino)-4,6-dimethylcoumarin2H-1-Benzopyran-2-one, 7-(ethylamino)-4,6-dimethyl-4,6-Dimethyl-7-(ethylamino)coumarin7-Ethylamino-4,6-dimethyl coumarinCoumarin, 7-(ethylamino)-4,6-dimethyl-NSC 93963CCRIS 49584,6-Dimethyl-7-ethylamino coumarinEINECS 247-446-4K6QVX5PW75
Show more names
COUMARIN 450TIMTEC-BB SBB010053Coumarin2,lasergradeCOUMARIN 2, DYE CONTENT 99%Coumarin 2, laser grade, pureCoumarin 2,99%,pure,laser grade4,6-DIMETHYL-7-ETHYLAMINOCOUMARINCOUMARIN 2, 99%, LASER GRADE, PURE
DTXSID208853317-(Ethylamino)-4,6-dimethyl-2-benzopyroneNSC-939637-(ethylamino)-4,6-dimethyl-2h-1-benzopyran-2-oneRefChem:5793007Ethylamino4,6dimethyl coumarin4,6Dimethyl7(ethylamino)coumarinDTXCID601024716
Database identifiers
- CAS
26078-25-1- PubChem CID
- 96929
- DTXSID
DTXSID20885331- UNII
- K6QVX5PW75
- EC Number
- 247-446-4
- Nikkaji
- J150.084H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 311
Experimental & physicochemical properties
Chemical ClassesDyes -> Coumarin Dyes
Physical DescriptionPowder; [MSDSonline]
Physicochemical properties
- Melting point
- 168 · 168-170 °C
- Boiling point
- 357.82 °C · 357.82°C (rough estimate)
- Density
- 1.096 · 1.0960 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- pka
- 2.72 · 2.72±0.20(Predicted)
- form
- Crystalline Powder or Crystals
- color
- Pale yellow to yellow-green
- Water Solubility
- SLIGHTLY SOLUBLE
- λmax
- 366 nm · 366nm(MeOH)(lit.)
- Stability
- Stable. Incompatible with strong oxidizing agents.
- FDA UNII
- 6 QVX5PW75 · K6QVX5PW75
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
H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 2H-1-Benzopyran-2-one, 7-(ethylamino)-4,6-dimethyl-
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 CategoriesAcute Tox. 4 (50%)
Safety data
- tsca
- TSCA listed
- hs_code
- 29322100
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 37/39-26
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
Chemistry & industry
Uses & manufacturing
UsesCoumarins are used as laser dyes. [Ullmann: Laser Dyes]
General Manufacturing Information2H-1-Benzopyran-2-one, 7-(ethylamino)-4,6-dimethyl-: ACTIVE
Applications
DescriptionCoumarin 2 is used as an efficient laser dye for both pulsed and CW operation.
UsesCoumarin 2 is suitable for use as laser dye. Efficient laser dye for both pulsed and CW operation.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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