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Benzenamine,4-chloro-N-ethyl-

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Name

Benzenamine,4-chloro-N-ethyl-

EINECS N/A
CAS No. 13519-75-0 Density 1.133 g/cm3
PSA 12.03000 LogP 2.84480
Solubility N/A Melting Point N/A
Formula C8H10ClN Boiling Point 256.5 °C at 760 mmHg
Molecular Weight 155.627 Flash Point 108.9 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 13519-75-0 (N-ETHYL-4-CHLOROANILINE) Hazard Symbols IrritantXi
Synonyms

Aniline,p-chloro-N-ethyl- (6CI,7CI,8CI);4-Chloro-N-ethylaniline;N-(4-Chlorophenyl)-N-ethylamine;N-(4-Chlorophenyl)ethylamine;N-Ethyl-4-chloroaniline;N-Ethyl-p-chloroaniline;p-Chloro-N-ethylaniline;

Article Data 46

Benzenamine,4-chloro-N-ethyl- Specification

The Benzenamine,4-chloro-N-ethyl- is an organic compound with the formula C8H10ClN. The IUPAC name of this chemical is 4-chloro-N-ethylaniline. With the CAS registry number 13519-75-0, it is also named as N-(4-Chlorophenyl)-N-ethylamine.

Physical properties about Benzenamine,4-chloro-N-ethyl- are: (1)ACD/LogP: 2.91; (2)ACD/LogD (pH 5.5): 2.87; (3)ACD/LogD (pH 7.4): 2.91; (4)ACD/BCF (pH 5.5): 86.76; (5)ACD/BCF (pH 7.4): 95.3; (6)ACD/KOC (pH 5.5): 826.67; (7)ACD/KOC (pH 7.4): 908.02; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.575; (13)Molar Refractivity: 45.39 cm3; (14)Molar Volume: 137.3 cm3; (15)Polarizability: 17.99×10-24cm3; (16)Surface Tension: 38.3 dyne/cm; (17)Density: 1.133 g/cm3; (18)Flash Point: 108.9 °C; (19)Enthalpy of Vaporization: 49.4 kJ/mol; (20)Boiling Point: 256.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0153 mmHg at 25°C.

Preparation: this chemical can be prepared by N-(4-chloro-phenyl)-acetamide. This reaction will need reagent LiBH4 and THF.

Uses of Benzenamine,4-chloro-N-ethyl-: it can be used to produce (4-chloro-phenyl)-ethyl-phenyl-amine by heating. It will need reagent p-toluenesulfonic acid and solvent toluene with reaction time of 35 hours. The yield is about 88.1%.

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

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(NCC)cc1
(2)InChI: InChI=1/C8H10ClN/c1-2-10-8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3
(3)InChIKey: KLWDPIXDUVYHMS-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H10ClN/c1-2-10-8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3
(5)Std. InChIKey: KLWDPIXDUVYHMS-UHFFFAOYSA-N

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