Basic information
- CAS
141573-62-8- Standard SMILES
CC(=O)Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1- InChIKey
JOHYKNHCOXRLMX-UHFFFAOYSA-N- Molecular formula
- C12H7F3O4
- Average molar mass
- 272.18 g/mol
- Monoisotopic mass
- 272.02964319
Names & identifiers
- Preferred name
- 4-Trifluoromethylumbelliferone7-acetate
- IUPAC
- [2-oxo-4-(trifluoromethyl)chromen-7-yl] acetate
- English name
- 4-(Trifluoromethyl)umbelliferyl acetate
- Molecular formula
- C12H7F3O4
- Molecular weight
- 272.18
Names & synonyms
141573-62-8RefChem:5270834-Trifluoromethylumbelliferone7-acetate621-079-34-(trifluoromethyl)umbelliferyl acetate2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl acetate[2-oxo-4-(trifluoromethyl)chromen-7-yl] acetateCBMicro_005421SCHEMBL593504JOHYKNHCOXRLMX-UHFFFAOYSA-NSMSF0004798AKOS001028609
Show more names
CB07500BIM-0005292.P001SR-01000199359SR-01000199359-1Z296412012-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl acetate
Database identifiers
- CAS
141573-62-8- PubChem CID
- 688587
- EC Number
- 621-079-3
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- Melting point
- 106 · 106-108 °C(lit.)
- storage temp.
- 20 °C · −20°C
- solubility
- DMF: soluble
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- F
- 8 · 8-10-21
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 8-10-21
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers5 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA—
CHEMICAL LAND21[email protected]
SIGMAALDRICH—
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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