2-(3-Chlorophenyl)ethylamine

The IUPAC name of 2-(3-Chlorophenyl)ethylamine is 2-(3-chlorophenyl)ethanamine. With the CAS registry number 13078-79-0, it is also named as 3-Chlorophenethylamine. The product is clear light yellow liquid. In addition, its molecular formula is C₈H₁₀ClN and molecular weight is 155.62.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.01; (4)ACD/LogD (pH 7.4): -0.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.97; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 44.23 cm³; (15)Molar Volume: 137.8 cm³; (16)Polarizability: 17.53×10^-24cm³; (17)Surface Tension: 40.9 dyne/cm; (18)Density: 1.128 g/cm³; (19)Flash Point: 107.5 °C; (20)Enthalpy of Vaporization: 47.01 kJ/mol; (21)Boiling Point: 233.4 °C at 760 mmHg; (22)Vapour Pressure: 0.056 mmHg at 25 °C.

Preparation of 2-(3-Chlorophenyl)ethylamine: this chemical can be prepared by 3-chloro-β-nitro-styrene.



This reaction needs LiAlH₄ and tetrahydrofuran. The yield is 41 %.

Uses of 2-(3-Chlorophenyl)ethylamine: it can react with acetyl chloride to get N-[2-(3-chlorophenyl)ethyl]acetamide.



This reaction needs Et₃N and CH₂Cl₂ at ambient temperature for 30 min. The yield is 89 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1cc(ccc1)CCN
(2)InChI: InChI=1/C8H10ClN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4-5,10H2
(3)InChIKey: NRHVNPYOTNGECT-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H10ClN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4-5,10H2
(5)Std. InChIKey: NRHVNPYOTNGECT-UHFFFAOYSA-N