Cas no 4640-67-9 (3-(4-fluorophenyl)-3-oxopropanenitrile)
3-(4-Fluorophenyl)-3-oxopropanenitrile is a fluorinated aromatic β-ketonitrile compound with the molecular formula C?H?FNO. This versatile intermediate features a reactive ketone and nitrile group, making it suitable for synthetic applications in pharmaceuticals, agrochemicals, and specialty chemicals. The presence of the electron-withdrawing fluorine substituent enhances its reactivity in nucleophilic addition and condensation reactions. Its well-defined structure ensures consistent performance in multi-step organic syntheses, particularly in constructing heterocyclic frameworks. The compound exhibits good stability under standard storage conditions, facilitating handling in laboratory and industrial settings. Its high purity and reliable synthetic utility make it a valuable building block for research and development in medicinal chemistry and material science applications.
4640-67-9 structure
Product Name:3-(4-fluorophenyl)-3-oxopropanenitrile
CAS No:4640-67-9
MF:C9H6FNO
MW:163.148445606232
MDL:MFCD00662062
CID:45221
PubChem ID:2783172
Update Time:2025-06-07
3-(4-fluorophenyl)-3-oxopropanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-(4-Fluorophenyl)-3-oxopropanenitrile
- 4-Fluorobenzoylacetonitrile
- 3-(4-FLUORO-PHENYL)-3-OXO-PROPIONITRILE
- 3-(4-Fluorophenyl)-3-oxopropionitrile
- p-Fluorobenzoylacetonitrile
- K1LTB8K2DH
- Benzenepropanenitrile, 4-fluoro-beta-oxo-
- alpha-Cyano-4-fluoroacetophenone
- Acetonitrile, (p-fluorobenzoyl)-
- 3-Oxo-3-(4-fluorophenyl)propanenitrile
- PubChem12048
- 4-Fluorophenacyl cyanide
- 4-fluoro-benzoylacetonitrile
- (p-fl
- (4-Fluorobenzoyl)acetonitrile
- CHEMBL3251049
- UNII-K1LTB8K2DH
- AM1017
- (p-fluorobenzoyl)acetonitrile
- SY023307
- 4-Fluorobenzoylacetonitrile, 97%
- .ALPHA.-CYANO-4-FLUOROACETOPHENONE
- LOJBBLDAJBJVBZ-UHFFFAOYSA-N
- AKOS000206981
- 4640-67-9
- SCHEMBL133680
- BENZENEPROPANENITRILE, 4-FLUORO-.BETA.-OXO-
- 3-(4-Fluorophenyl)-3-oxopropanenitrile;
- EN300-14827
- CK2043
- 2-(4-FLUOROPHENYL)-2-OXOETHYL CYANIDE
- MFCD00662062
- CS-B0665
- PS-8749
- F0987
- A7227
- FT-0604212
- Q27281825
- AC-24566
- Z104520972
- BCP16716
- DTXSID30382482
- HMS1741H18
- STK312286
- 4-Fluoro-beta-oxo-benzenepropanenitrile; 3-(4-Fluorophenyl)-3-oxopropanenitrile; 3-(4-Fluorophenyl)-3-oxopropionitrile; 3-Oxo-3-(4-fluorophenyl)propanenitrile; p-Fluorobenzoylacetonitrile; alpha-Cyano-4-fluoroacetophenone
- DB-013309
- BBL038588
- DTXCID00333507
- 627-421-8
- 3-(4-fluorophenyl)-3-oxopropanenitrile
-
- MDL： MFCD00662062
- Inchi： 1S/C9H6FNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5H2
- InChI Key： LOJBBLDAJBJVBZ-UHFFFAOYSA-N
- SMILES： FC1C=CC(C(CC#N)=O)=CC=1
Computed Properties
- Exact Mass: 163.04300
- Monoisotopic Mass: 163.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 210
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 1.1
- Topological Polar Surface Area: 40.9
Experimental Properties
- Density: 1.207
- Melting Point: 84-88?°C
- Boiling Point: 311.9°C at 760 mmHg
- Flash Point: 142.4°C
- Refractive Index: 1.516
- Solubility: Soluble in dimethylformamide, dimethyl sulfoxide.
- PSA: 40.86000
- LogP: 1.92208
- λmax: 247(EtOH)(lit.)
3-(4-fluorophenyl)-3-oxopropanenitrile Security Information
-
Symbol:
- Prompt：warning
- Signal Word：Warning
- Hazard Statement： H302,H315,H319,H335
- Warning Statement： P261,P305+P351+P338
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Hazard Category Code： 22-36/37/38
- Safety Instruction： S26-S36/37/39
-
Hazardous Material Identification：
- HazardClass：6.1
- Storage Condition：Sealed in dry,Room Temperature
- Risk Phrases：R22; R36/37/38
- Safety Term：S26
3-(4-fluorophenyl)-3-oxopropanenitrile Customs Data
- HS CODE：2926909090
- Customs Data：
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
3-(4-fluorophenyl)-3-oxopropanenitrile Pricemore >>
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| Chemenu | CM158605-100g |
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￡15.00 | 2025-02-19 | ||
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￡73.00 | 2025-02-19 | ||
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R016820-1g |
3-(4-fluorophenyl)-3-oxopropanenitrile |
4640-67-9 | 97% | 1g |
￥29 | 2024-05-23 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R016820-5g |
3-(4-fluorophenyl)-3-oxopropanenitrile |
4640-67-9 | 97% | 5g |
￥40 | 2024-05-23 | |
| ChemScence | CS-B0665-25g |
3-(4-Fluorophenyl)-3-oxopropanenitrile |
4640-67-9 | 95.13% | 25g |
$46.0 | 2022-04-27 |
3-(4-fluorophenyl)-3-oxopropanenitrile Suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:4640-67-9)4-氟苯甲?；译?/div>
Order Number:LE27050828
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 13:02
Price ($):discuss personally
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3-(4-fluorophenyl)-3-oxopropanenitrile Related Literature
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:4640-67-9)4-氟苯甲酰基乙腈
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry