Completing data — usually done within a minute
Basic information
- CAS
575-04-2- Standard SMILES
COc1ccc2c(C(F)(F)F)cc(=O)oc2c1- InChIKey
HAZHUELNIGDYQH-UHFFFAOYSA-N- Molecular formula
- C11H7F3O3
- Average molar mass
- 244.168 g/mol
- Monoisotopic mass
- 244.03472874
Names & identifiers
- Preferred name
- 7-Methoxy-4-(trifluoromethyl)coumarin
- IUPAC
- 7-Methoxy-4-(trifluoromethyl)-2H-1-benzopyran-2-one
- English name
- 7-Methoxy-4-(trifluoromethyl)coumarin
- Molecular formula
- C11H7F3O3
- Molecular weight
- 244.17
Names & synonyms
BUTTPARK 84\02-277-Methoxy-4-(trifluoromethyl)coumarinMETHYL 4-(TRIFLUOROMETHYL)UMBELLIFERYL ETHER4-TRIFLUOROMETHYL-UMBELLIFERYL 7-METHYL ETHER7-Methoxy-4-(trifluoromethyl)-2H-chromen-2-one2H-1-Benzopyran-2-one, 7-methoxy-4-(trifluoromethyl)-1-[2-(2-naphthalenylmethyl)phenyl]-3-phenyl-1-propanone7-METHOXY-4-(TRIFLUOROMETHYL)COUMARIN, F OR FLUORESCENCE7-Methoxy-4-(trifluoromethyl)coumarin, Fluorescent substrate for oxidoreductases7-Methoxy-4-(trifluoromethyl)coumarin,Methyl 4-(trifluoromethyl)umbelliferyl ether
Database identifiers
- CAS
575-04-2- PubChem CID
- 688586
- DTXSID
DTXSID30350909- Nikkaji
- J2.871.356H
Properties
Physicochemical properties
- Melting point
- 113 · 113-114 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 287.4 · 287.4±40.0 °C(Predicted)
- Density
- 1.418 · 1.418±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- DMF: soluble
- form
- Solid
- color
- White to Off-White
- BRN
- 225039 · 225039
- InChI
- InChI=1S/C11H7F3O3/c1-16-6-2-3-7-8(11(12,13)14)5-10(15)17-9(7)4-6/h2-5H,1H3
- InChIKey
- HAZHUELNIGDYQH-UHFFFAOYSA-N
- SMILES
- C1(=O)OC2=CC(OC)=CC=C2C(C(F)(F)F)=C1
- UNSPSC Code
- 12352204 · 12352204
- NACRES
- 32 · NA.32
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- F
- 8 · 8
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
Safety data
- F
- 8
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesFluorescent substrate for oxidoreductases, especially for Cytochrome P450.
Uses7-Methoxy-4-(trifluoromethyl)coumarin is a biochemical for proteomics research.
Upstream & downstream products
Upstream raw materials
Suppliers46 total
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Related reactions
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Compound notes
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