1.Introduction of 4-Chlorobutyronitrile

The 4-Chlorobutanenitrile, with the CAS registry number 628-20-6, is also known as 1-Chloro-3-cyanopropane. It belongs to the product categories of Halogen compounds; Miscellaneous; Aliphatics; C1 to C5; Cyanides/Nitriles; Nitrogen Compounds. It should be stored in shady and cool warehouse and mainly used as Intermediate for Buflomedil.

2.Physical properties of 4-Chlorobutanenitrile

(1)ACD/LogP: 0.56; (2)ACD/LogD (pH 5.5): 0.56; (3)ACD/LogD (pH 7.4): 0.56; (4)ACD/BCF (pH 5.5): 1.57; (5)ACD/BCF (pH 7.4): 1.57; (6)ACD/KOC (pH 5.5): 48.04; (7)ACD/KOC (pH 7.4): 48.04; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.423; (11)Molar Refractivity: 25.34 cm³; (12)Molar Volume: 99.3 cm³; (13)Surface Tension: 32.9 dyne/cm; (14)Density: 1.042 g/cm³; (15)Flash Point: 85 °C; (16)Enthalpy of Vaporization: 42.72 kJ/mol; (17)Boiling Point: 191 °C at 760 mmHg; (18)Vapour Pressure: 0.525 mmHg at 25°C.

3.Structure descriptors of 4-Chlorobutyronitrile

(1)Canonical SMILES: C(CC#N)CCl
(2)InChI: InChI=1S/C4H6ClN/c5-3-1-2-4-6/h1-3H2
(3)InChIKey: ZFCFBWSVQWGOJJ-UHFFFAOYSA-N
 

4. Preparation of 4-Chlorobutyronitrile

The 4-Chlorobutyronitrile can be prepared by 1-chloro-3-bromopropane and potassium cyanide.

BrCH₂CH₂CH₂Cl+KCN→ClCH₂CH₂CH₂CN+KBr

5. Uses of 4-Chlorobutanenitrile

The 4-Chlorobutyronitrile can be used to produce 4-chloro-butyric acid at temperature of 240 °C. This reaction will need reagent CuSO₄•H₂O with reaction time of 1 hour. The yield is about 65%.

6.Safety information of 4-Chlorobutyronitrile

This chemical that at low levels can cause damage to health. It may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

7.The toxicity data is as follows: