3',5'-Difluoro-4'-methoxyacetophenone
Basic information
- CAS
170570-79-3- Standard SMILES
COc1c(F)cc(C(C)=O)cc1F- InChIKey
OUJZNFJFMAKGMS-UHFFFAOYSA-N- Molecular formula
- C9H8F2O2
- Average molar mass
- 186.15 g/mol
- Monoisotopic mass
- 186.04923582
Names & identifiers
- Preferred name
- 3',5'-Difluoro-4'-methoxyacetophenone
- IUPAC
- 1-(3,5-difluoro-4-methoxyphenyl)ethanone
- English name
- 3,5-Difluoro-4-methoxyacetophenone
- Molecular formula
- C9H8F2O2
- Molecular weight
- 186.16
Names & synonyms
170570-79-33',5'-Difluoro-4'-methoxyacetophenoneDTXSID20371744RefChem:269354DTXCID803227771-(3,5-difluoro-4-methoxyphenyl)ethanone3,5-Difluoro-4-methoxyacetophenone1-(3,5-Difluoro-4-methoxyphenyl)ethan-1-oneMFCD002362431-(3,5-difluoro-4-methoxyphenyl)ethan-1-one, 4-acetyl-2,6-difluoroanisole1-(3,5-difluoro-4-methoxy-phenyl)ethanoneSCHEMBL507133
Show more names
3’，5’-Difluoro-4’-methoxyacetophenone3',5'-Difluoro-4'-methoxyacetophenone98%Ethanone, 1-(3,5-difluoro-4-methoxyphenyl)-1-(3,5-Difluoro-4-methoxyphenyl)ethan-1-one - [D92896]3′,5′-Difluoro-4′-methoxyacetophenone, CAS 170570-79-3
OUJZNFJFMAKGMS-UHFFFAOYSA-N3.5-difluoro-4-methoxyacetophenoneSBB0903743'5'-Difluoro-4'-methoxyacetophenoneAKOS015955992PS-65361-acetyl-3,5-difluoro-4-methoxybenzeneSY227926
Database identifiers
- CAS
170570-79-3- PubChem CID
- 2736983
- DTXSID
DTXSID20371744- EC Number
- 681-409-7
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 266.9 · 266.9±35.0 °C(Predicted)
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Appearance
- Colorless to off-white Solid-liquid mixture
- Water Solubility
- Insoluble in water.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- Hazard Note
- Irritant
- HS Code
- 2914790090 · 2914790090
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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- hs_code
- 2914790090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses3',5'-Difluoro-4'-methoxyacetophenone, is used in agrochemical, pharmaceutical and dyestuff field.
Preparation methods
PreparationObtained by fluorination of 4-methoxyacetophenone with manganese (IV) tetrafluoride formed in situ using manganese (IV) dioxide and pyridinium polyhydrogenofluoride under very mild conditions.
Suppliers
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Related reactions
18 records
Compound notes
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