(p-Nitrobenzoyl)acetonitrile

Modify Date: 2025-08-25 13:26:35

(p-Nitrobenzoyl)acetonitrile Structure
(p-Nitrobenzoyl)acetonitrile structure
Common Name (p-Nitrobenzoyl)acetonitrile
CAS Number 3383-43-5 Molecular Weight 190.156
Density 1.3±0.1 g/cm3 Boiling Point 387.1±22.0 °C at 760 mmHg
Molecular Formula C9H6N2O3 Melting Point N/A
MSDS N/A Flash Point 187.9±22.3 °C

 Names

Name 3-(4-Nitrophenyl)-3-oxopropanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 387.1±22.0 °C at 760 mmHg
Molecular Formula C9H6N2O3
Molecular Weight 190.156
Flash Point 187.9±22.3 °C
Exact Mass 190.037842
PSA 86.68000
LogP 0.73
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.578
InChIKey DXYPCBNFJFSXFY-UHFFFAOYSA-N
SMILES N#CCC(=O)c1ccc([N+](=O)[O-])cc1

 Safety Information

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%

 (p-Nitrobenzoyl)acetonitrileBioassay

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Name: qHTS screening for TAG (triacylglycerol) accumulators in algae
Source: 11812
Target: N/A
External Id: FATTTLab-Algae-Lipid
Name: Small-molecule inhibitors of ST2 (IL1RL1)
Source: 20881
Target: interleukin-1 receptor-like 1 isoform [homo sapiens]
External Id: ST2_IL33_Inhibitors_Primary_Screening_77700
Name: Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
Source: 24983
Target: Huntingtin
External Id: KUHTS-Muma KU-CaM-Htt INH-01
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 Synonyms

3-(4-Nitrophenyl)-3-oxopropionitrile
3-(4-Nitrophenyl)-3-oxopropanenitrile
(p-Nitrobenzoyl)acetonitrile
2-cyano-4'-nitroacetophenone
4-Nitrobenzoylacetonitrile
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