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2770-11-8

Basic Information
CAS No.: 2770-11-8
Name: 2-(4-CHLOROPHENOXY)ANILINE
Article Data: 15
Molecular Structure:
Molecular Structure of 2770-11-8 (2-(4-CHLOROPHENOXY)ANILINE)
Formula: C12H10ClNO
Molecular Weight: 219.671
Synonyms: 2-Amino-4'-chlorodiphenyl ether;Aniline,o-(p-chlorophenoxy)- (7CI,8CI);2-(4-Chlorophenoxy)aniline;2-(4-Chlorophenoxy)phenylamine;2-(p-Chlorophenoxy)aniline;
EINECS: 220-461-3
Density: 1.26 g/cm3
Melting Point: 69-70°C
Boiling Point: 321 °C at 760 mmHg
Flash Point: 148 °C
Hazard Symbols: IrritantXi
PSA: 35.25000
LogP: 4.29570
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Specification

The IUPAC name of 2-(4-Chlorophenoxy)aniline is 2-(4-chlorophenoxy)aniline. With the CAS registry number 2770-11-8, it is also named as Aniline, p-chlorophenoxy-. The product should be closed in a cool and dry place. In addition, its molecular formula is C12H10ClNO and molecular weight is 219.67.

The other characteristics of 2-(4-Chlorophenoxy)aniline can be summarized as: (1)EINECS: 220-461-3; (2)ACD/LogP: 3.06; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.05; (5)ACD/LogD (pH 7.4): 3.06; (6)ACD/BCF (pH 5.5): 122.46; (7)ACD/BCF (pH 7.4): 124.31; (8)ACD/KOC (pH 5.5): 1082.19; (9)ACD/KOC (pH 7.4): 1098.61; (10)#H bond acceptors: 2; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 3; (13)Polar Surface Area: 12.47 Å2; (14)Index of Refraction: 1.627; (15)Molar Refractivity: 61.82 cm3; (16)Molar Volume: 174.2 cm3; (17)Polarizability: 24.51×10-24cm3; (18)Surface Tension: 48.6 dyne/cm; (19)Density: 1.26 g/cm3; (20)Flash Point: 148 °C; (21); (22)Enthalpy of Vaporization: 56.28 kJ/mol; (23)Boiling Point: 321 °C at 760 mmHg; (24)Vapour Pressure: 0.000306 mmHg at 25 °C.

Uses of 2-(4-Chlorophenoxy)aniline: it can react with benzoyl chloride to get N-[2-(4-chloro-phenoxy)-phenyl]-benzamide.



This reaction needs triethylamine and benzene by heating for 4 hours. The yield is 83 %.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=CC=C(C(=C1)N)OC2=CC=C(C=C2)Cl
(2)InChI: InChI=1S/C12H10ClNO/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8H,14H2
(3)InChIKey: QKKBREBZMUFUDS-UHFFFAOYSA-N