3-cyanobenzoyl chloride (1711-11-1)

The CAS register number of 3-Cyanobenzoyl chloride is 1711-11-1. It also can be called as Benzoyl chloride, 3-cyano- and the IUPAC name about this chemical is 3-cyanobenzoyl chloride. The molecular formula about this chemical is C₈H₄ClNO and the molecular weight is 165.58. It belongs to the following product categories, such as Aromatic Halides (substituted); Acid Halides; Carbonyl Compounds; Organic Building Blocks and so on.

Physical properties about 3-Cyanobenzoyl chloride are: (1)ACD/LogP: 1.83; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 40.86Ų; (5)Index of Refraction: 1.567; (6)Molar Refractivity: 40.89 cm³; (7)Molar Volume: 125 cm³; (8)Polarizability: 16.21x10^-24cm³; (9)Surface Tension: 51.7 dyne/cm; (10)Enthalpy of Vaporization: 50.15 kJ/mol; (11)Boiling Point: 263.7 °C at 760 mmHg; (12)Vapour Pressure: 0.0101 mmHg at 25°C.

Uses of 3-Cyanobenzoyl chloride: it can be used to produce 3-cyano-4'-methoxybenzophenone with methoxybenzene. This reaction will need reagent AlCl₃ and solvent CS₂.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed, it also can cause burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you need take off immediately all contaminated clothing. After contact with skin, wash immediately with plenty of soap-suds. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc(C(Cl)=O)ccc1
(2)InChI: InChI=1/C8H4ClNO/c9-8(11)7-3-1-2-6(4-7)5-10/h1-4H
(3)InChIKey: RPESZQVUWMFBEO-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H4ClNO/c9-8(11)7-3-1-2-6(4-7)5-10/h1-4H
(5)Std. InChIKey: RPESZQVUWMFBEO-UHFFFAOYSA-N