4-Cyanobenzoic acid

Modify Date: 2026-07-05 09:58:26

4-Cyanobenzoic acid Structure
4-Cyanobenzoic acid structure
Common Name 4-Cyanobenzoic acid
CAS Number 619-65-8 Molecular Weight 147.131
Density 1.3±0.1 g/cm3 Boiling Point 341.0±25.0 °C at 760 mmHg
Molecular Formula C8H5NO2 Melting Point 219-221 °C (dec.)(lit.)
MSDS Chinese USA Flash Point 160.0±23.2 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 4-Cyanobenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 341.0±25.0 °C at 760 mmHg
Melting Point 219-221 °C (dec.)(lit.)
Molecular Formula C8H5NO2
Molecular Weight 147.131
Flash Point 160.0±23.2 °C
Exact Mass 147.032028
PSA 61.09000
LogP 1.56
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.592
InChIKey ADCUEPOHPCPMCE-UHFFFAOYSA-N
SMILES N#Cc1ccc(C(=O)O)cc1
Storage condition Room temperature.
Stability Stable. Incompatible with strong oxidizing agents, strong acids, strong bases.

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H312-H315-H319-H332-H335
Precautionary Statements P261-P280-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn:Harmful;
Risk Phrases R20/21/22
Safety Phrases S26-S36-S22
RIDADR 3276
WGK Germany 3
Packaging Group III
Hazard Class 6.1
HS Code 29269095

 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%

 Articles11

More Articles
Tuning the basicity of cyano-containing ionic liquids to improve SO2 capture through cyano-sulfur interactions.

Chemistry 21(14) , 5632-9, (2015)

A new approach has been developed to improve SO2 sorption by cyano-containing ionic liquids (ILs) through tuning the basicity of ILs and cyano-sulfur interaction. Several kinds of cyano-containing ILs...

Solvent and temperature effects on diastereodifferentiating Paternó-Büchi reaction of chiral alkyl cyanobenzoates with diphenylethene upon direct versus charge-transfer excitation.

J. Org. Chem. 75(16) , 5461-9, (2010)

In the Paternó-Büchi reaction of chiral p-cyanobenzoates (1) with 1,1-diphenylethene (2), we revealed that the excited charge-transfer (CT) complex formed upon selective excitation at the CT band is d...

Enantioseparation and stacking of Cyanobenz[f]isoindole-amino acids by reverse polarity capillary electrophoresis and sulfated beta-cyclodextrin.

Anal. Chem. 79(2) , 736-43, (2007)

A capillary electrophoresis method with laser-induced fluorescence detection for the chiral separation of cyanobenz[f]isoindole (CBI) derivatives of amino acids was developed and optimized. The enanti...

 4-Cyanobenzoic acidBioassay

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Name: Concentration of the drug in the kidney of rat
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL643456
Name: Concentration of the drug in the liver of rat
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL643457
Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344
Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS898
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 Synonyms

4-cyanobenzenecarboxylic acid
EINECS 210-606-9
MFCD00002528
Terephthalic acid mononitrile
4-Cyanobenzoic acid
Benzoic acid,4-cyano
4-Carboxybenzonitrile
Benzoic acid,p-cyano
4,4'-dimethoxybenzhydryl 4-cyanobenzoate
p-Carboxybenzonitrile
p-cyanobenzoic acid
p-CNC6H4CO2H
4-Cyano-benzoic acid
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