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2-(2,4-Dichlorophenoxy)aniline

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Name

2-(2,4-Dichlorophenoxy)aniline

EINECS 247-603-7
CAS No. 26306-64-9 Density 1.365 g/cm3
PSA 35.25000 LogP 4.94910
Solubility N/A Melting Point N/A
Formula C12H9Cl2NO Boiling Point 332.774 °C at 760 mmHg
Molecular Weight 254.116 Flash Point 155.056 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 26306-64-9 (2-(2,4-Dichlorophenoxy)aniline) Hazard Symbols N/A
Synonyms

Aniline,o-(2,4-dichlorophenoxy)- (8CI);2-(2,4-Dichlorophenoxy)aniline;2-(2,4-Dichlorophenoxy)benzenamine;2-(2,4-Dichlorophenoxy)phenylamine;2-Amino-2',4'-dichlorodiphenyl ether;NSC 89753;2-Amino-2`,4`-dichloro-diphenylether;2-Amino-2',4'-dichloro-diphenylether;2-(2,4-dichlorophenoxy)aniline;

Article Data 14

2-(2,4-Dichlorophenoxy)aniline Specification

The Benzenamine,2-(2,4-dichlorophenoxy)-, with the CAS registry number 26306-64-9 and EINECS registry number 247-603-7, has the systematic name and IUPAC name of 2-(2,4-dichlorophenoxy)aniline. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C12H9Cl2NO.

The characteristics of Benzenamine,2-(2,4-dichlorophenoxy)- are as followings: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.45; (4)ACD/LogD (pH 7.4): 3.45; (5)ACD/BCF (pH 5.5): 245.49; (6)ACD/BCF (pH 7.4): 247; (7)ACD/KOC (pH 5.5): 1784.96; (8)ACD/KOC (pH 7.4): 1795.93; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 66.72 cm3; (15)Molar Volume: 186.2 cm3; (16)Polarizability: 26.45×10-24cm3; (17)Surface Tension: 50.3 dyne/cm; (18)Density: 1.364 g/cm3; (19)Flash Point: 155.1 °C; (20)Enthalpy of Vaporization: 57.56 kJ/mol; (21)Boiling Point: 332.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000143 mmHg at 25°C.

Uses of Benzenamine,2-(2,4-dichlorophenoxy)-: It can react with (3-chloro-propyl)-dimethyl-amine to produce N,N-Dimethyl-N'-[2-(2,4-dichlorophenoxy)phenyl]-1,3-propanediamine. This reaction will need reagent NaNH2, and the menstruum benzene. And the yield is about 92%.   

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc2cc(Cl)ccc2Oc1ccccc1N
(2)InChI: InChI=1/C12H9Cl2NO/c13-8-5-6-11(9(14)7-8)16-12-4-2-1-3-10(12)15/h1-7H,15H2
(3)InChIKey: NXXSJWHUACPWNZ-UHFFFAOYAZ

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