5-Chlorovaleronitrile

1.Introduction of 5-Chlorovaleronitrile

The 5-Chlorovaleronitrile with CAS registry number 6280-87-1, belongs to the following product category: API intermediates. It has the systematic name of 5-chloropentanenitrile. This chemical is a kind of clear liquid. And the chemical formula of this chemical is C₅H₈ClN. What's more, its EINECS is 228-481-4.And it should be stored in shady and cool warehouse and mainly used as reagent.

2. Physical properties of 5-Chlorovaleronitrile

(1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.97; (4)ACD/LogD (pH 7.4): 0.97; (5)ACD/BCF (pH 5.5): 3.2; (6)ACD/BCF (pH 7.4): 3.2; (7)ACD/KOC (pH 5.5): 79.96; (8)ACD/KOC (pH 7.4): 79.96; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.43; (14)Molar Refractivity: 29.97 cm³; (15)Molar Volume: 115.8 cm³; (16)Polarizability: 11.88×10^-24cm³; (17)Surface Tension: 33 dyne/cm; (18)Enthalpy of Vaporization: 45.65 kJ/mol; (19)Vapour Pressure: 0.116 mmHg at 25°C.

3.Structure descriptors of 5-Chlorovaleronitrile

(1)SMILES: ClCCCCC#N
(2)InChI: InChI=1/C5H8ClN/c6-4-2-1-3-5-7/h1-4H2
(3)InChIKey: JSAWFGSXRPCFSW-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C5H8ClN/c6-4-2-1-3-5-7/h1-4H2
(5)Std. InChIKey: JSAWFGSXRPCFSW-UHFFFAOYSA-N

4.Uses of 5-Chlorovaleronitrile

5-Chlorovaleronitrile can be used to produce 5-iodo-valeronitrile. This reaction will  need reagents acetone, sodium iodide.

5.Safety information of 5-Chlorovaleronitrile

The Pentanenitrile,5-chloro- is toxic by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)