5-Chloro-2-thiophenecarbonitrile

The 5-Chloro-2-thiophenecarbonitrile, with the CAS registry number 50478-16-5, has the systematic name and IUPAC name of 5-chlorothiophene-2-carbonitrile. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₅H₂ClNS.

The characteristics of 5-Chloro-2-thiophenecarbonitrile are as followings: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 20; (6)ACD/BCF (pH 7.4): 20; (7)ACD/KOC (pH 5.5): 297; (8)ACD/KOC (pH 7.4): 297; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 52.03 Å²; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 34.289 cm³; (15)Molar Volume: 101.072 cm³; (16)Polarizability: 13.593×10^-24cm³; (17)Surface Tension: 54.827 dyne/cm; (18)Density: 1.421 g/cm³; (19)Flash Point: 75.501 °C; (20)Enthalpy of Vaporization: 43.744 kJ/mol; (21)Boiling Point: 201.229 °C at 760 mmHg; (22)Vapour Pressure: 0.311 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer); In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#Cc1ccc(Cl)s1
(2)InChI: InChI=1/C5H2ClNS/c6-5-2-1-4(3-7)8-5/h1-2H
(3)InChIKey: MZALEEOEVCTDJA-UHFFFAOYAR