1-(4-Fluoro-3-methylphenyl)ethan-1-one
Basic information
- CAS
369-32-4- Standard SMILES
CC(=O)c1ccc(F)c(C)c1- InChIKey
SMSVMBMJEYTUOZ-UHFFFAOYSA-N- Molecular formula
- C9H9FO
- Average molar mass
- 152.16 g/mol
- Monoisotopic mass
- 152.06374307
Names & identifiers
- Preferred name
- 1-(4-Fluoro-3-methylphenyl)ethan-1-one
- IUPAC
- 1-(4-fluoro-3-methylphenyl)ethanone
- English name
- 4-FLUORO-3-METHYLACETOPHENONE
- Molecular formula
- C9H9FO
- Molecular weight
- 152.17
Names & synonyms
1-(4-fluoro-3-methylphenyl)ethan-1-oneDTXSID20302457RefChem:425463DTXCID20253591680-999-3369-32-41-(4-fluoro-3-methylphenyl)ethanone4-FLUORO-3-METHYLACETOPHENONE4'-fluoro-3'-methylacetophenoneMFCD049728791-acetyl-4-fluoro-3-methylbenzeneEthanone, 1-?(4-?fluoro-?3-?methylphenyl)?-
Show more names
4-Fluro-3-methyl acetophenone4'-Fluoro-3'-methyacetophenone4'-Fluoro-3'-methylacetophenon4-Fluoro-3-methylacetophenone, 95%4'-Fluoro-3'-methylacetophenone,97%
3-METHYL-4-FLUOROACETOPHENONEEthanone, 1-(4-fluoro-3-methylphenyl)-NSC1510421-(4-fluoro-3-methyl-phenyl)ethanone3-methyl-4-fluorophenone4-fluor-3-methylacetophenoneSCHEMBL1924482SCHEMBL2098198
Database identifiers
- CAS
369-32-4- PubChem CID
- 289328
- DTXSID
DTXSID20302457- EC Number
- 680-999-3
- Nikkaji
- J758.156D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 215 °C · 215°C(lit.)
- Density
- 1.075 · 1.075±0.06 g/cm3(Predicted)
- refractive index
- 1.5128 · 1.5128
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Colorless to light yellow Liquid
- Water Solubility
- Insoluble in water.
- InChI
- InChI=1S/C9H9FO/c1-6-5-8(7(2)11)3-4-9(6)10/h3-5H,1-2H3
- InChIKey
- SMSVMBMJEYTUOZ-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=CC=C(F)C(C)=C1)C
- CAS DataBase Reference
- 369 · 369-32-4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H315-H319
- Precautionary statements
- 280 g-P305+P351+P338-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501 · P280g-P305+P351+P338-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
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 6 reports by companies from 3 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
- hs_code
- 2914790090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H227-H315-H319
- Precautionary statements
- P280g-P305+P351+P338-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
Chemistry & industry
Applications
Uses4'-Fluoro-3'-methylacetophenone is used as pharmaceutical intermediate, and an intermediate in organic synthesis.
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
4 records
Compound notes
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