4-Fluorobenzoylacetonitrile

Modify Date: 2025-08-24 19:30:43

4-Fluorobenzoylacetonitrile Structure
4-Fluorobenzoylacetonitrile structure
Common Name 4-Fluorobenzoylacetonitrile
CAS Number 4640-67-9 Molecular Weight 163.148
Density 1.2±0.1 g/cm3 Boiling Point 311.9±22.0 °C at 760 mmHg
Molecular Formula C9H6FNO Melting Point 84-88 °C
MSDS Chinese USA Flash Point 142.4±22.3 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 4-Fluorobenzoylacetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 311.9±22.0 °C at 760 mmHg
Melting Point 84-88 °C
Molecular Formula C9H6FNO
Molecular Weight 163.148
Flash Point 142.4±22.3 °C
Exact Mass 163.043335
PSA 40.86000
LogP 1.02
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.516
InChIKey LOJBBLDAJBJVBZ-UHFFFAOYSA-N
SMILES N#CCC(=O)c1ccc(F)cc1

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn: Harmful;
Risk Phrases R22;R36/37/38
Safety Phrases S26-S36/37/39
RIDADR NONH for all modes of transport
HS Code 2926909090

 Synthetic Route

 Customs

HS Code 2926909090
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%

 4-FluorobenzoylacetonitrileBioassay

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Name: Inhibition of the Burkholderia mallei acyl-homoserine lactone synthase BmaI1
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: autoinducer synthetase family protein [Burkholderia mallei ATCC 23344]
External Id: HMS1126
Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
Name: Antiinflammatory activity against adjuvant-induced arthritis rat model assessed as in...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL3253817
Name: Antiinflammatory activity against adjuvant-induced arthritis rat model assessed as in...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL3253819
Name: Antiinflammatory activity against adjuvant-induced arthritis rat model assessed as in...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL3253818
Name: Antiinflammatory activity against adjuvant-induced arthritis rat model assessed as in...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL3253823
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: Antiinflammatory activity against adjuvant-induced arthritis rat model assessed as in...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL3253825
Name: Antiinflammatory activity against adjuvant-induced arthritis rat model assessed as in...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL3253824
Name: Antiinflammatory activity against UV-induced erythema in guinea pig
Source: ChEMBL
Target: Cavia porcellus
External Id: CHEMBL3253827
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 Synonyms

3-(4-Fluorophenyl)-3-oxopropanenitrile
MFCD00662062
3-(4-Fluorophenyl)-3-oxopropionitrile
4-FLUOROBENZOYLACETONITRILE
3-(4-Fluorphenyl)-3-oxopropanonitril
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