The 4-Cyanobenzoic acid is an organic compound with the formula C₈H₅NO₂. The IUPAC name of this chemical is 4-cyanobenzoic acid. With the CAS registry number 619-65-8, it is also named as Benzoic acid, 4-cyano-. The product's categories are Carboxylicacid; Acids and Derivatives; Boron, Nitrile, Thio,& TM-Cpds; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Organic Acids; Absolute Configuration Determination (Exciton Chirality CD Method); Analytical Chemistry; Benzonitriles (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Enantiomer Excess & Absolute Configuration Determination; Exciton Chirality CD Method (for Hydroxyl Groups); Functional Materials. Besides, it is a white powder, which should be stored in a closed cool and dry place. It is used as intermediates in organic synthesis.

Physical properties about 4-Cyanobenzoic acid are: (1)ACD/LogP: 1.56; (2)ACD/LogD (pH 5.5): -0.38; (3)ACD/LogD (pH 7.4): -1.51; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.95; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 50.09 Å²; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 37.59 cm³; (14)Molar Volume: 111 cm³; (15)Polarizability: 14.9×10^-24cm³; (16)Surface Tension: 63.5 dyne/cm; (17)Density: 1.32 g/cm³; (18)Flash Point: 160 °C; (19)Enthalpy of Vaporization: 61.7 kJ/mol; (20)Boiling Point: 341 °C at 760 mmHg; (21)Vapour Pressure: 3.19E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-methyl-benzonitrile. This reaction will need reagent CrO₃, H₂SO₄ and acetic acid.

Uses of 4-Cyanobenzoic acid: it can be used to produce 4-iodo-benzonitrile by heating. It will need reagent iodosobenzene diacetate, iodine and solvent CCl₄ with reaction time of 24 hours. The yield is about 55%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and do not breathe dust.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(C(=O)O)cc1
(2)InChI: InChI=1/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)
(3)InChIKey: ADCUEPOHPCPMCE-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)
(5)Std. InChIKey: ADCUEPOHPCPMCE-UHFFFAOYSA-N