2-Chloro-4-fluoroaniline

The Benzenamine,2-chloro-4-fluoro-, with CAS registry number 2106-02-7, belongs to the following product categories: (1)Anilines, Amides & Amines; (2)Chlorine Compounds; (3)Fluorine Compounds; (4)Amines; (5)C2 to C6; (6)Nitrogen Compounds. It has the systematic name of 2-chloro-4-fluoroaniline. This chemical is a kind of clear orange-brown to brown liquid. What's more, its EINECS is 218-282-0. The main use of this chemical is for the medicines intermediates and pesticides intermediates.

Physical properties of Benzenamine,2-chloro-4-fluoro-: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 11.16; (6)ACD/BCF (pH 7.4): 11.18; (7)ACD/KOC (pH 5.5): 195.58; (8)ACD/KOC (pH 7.4): 195.9; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 35.37 cm³; (15)Molar Volume: 107.8 cm³; (16)Polarizability: 14.02×10^-24cm³; (17)Surface Tension: 42.9 dyne/cm; (18)Density: 1.349 g/cm³; (19)Flash Point: 98.3 °C; (20)Enthalpy of Vaporization: 42.82 kJ/mol; (21)Boiling Point: 192 °C at 760 mmHg; (22)Vapour Pressure: 0.5 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-chloro-2-nitro-benzene. This reaction will need reagents HF, Pb. The yield is about 30%.

When you are using this chemical, please be cautious about it as the following:
The Benzenamine,2-chloro-4-fluoro- irritates to eyes, respiratory system and skin. And this chemical is harmful 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.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(Cl)c(N)cc1
(2)InChI: InChI=1/C6H5ClFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2
(3)InChIKey: XRAKCYJTJGTSMM-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C6H5ClFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2
(5)Std. InChIKey: XRAKCYJTJGTSMM-UHFFFAOYSA-N