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614-70-0

Basic Information
CAS No.: 614-70-0
Name: o-(ethylamino)phenol
Article Data: 23
Molecular Structure:
Molecular Structure of 614-70-0 (o-(ethylamino)phenol)
Formula: C8H11NO
Molecular Weight: 137.181
Synonyms: Phenol,o-(ethylamino)- (7CI,8CI);2-(Ethylamino)phenol;N-Ethyl-o-hydroxyaniline;o-Ethylaminophenol;
EINECS: 210-391-1
Density: 1.107 g/cm3
Melting Point: 106-107 °C
Boiling Point: 244.7 °C at 760 mmHg
Flash Point: 114.8 °C
PSA: 32.26000
LogP: 1.89700
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Specification

The Phenol, 2-(ethylamino)-, with the CAS registry number 614-70-0, is also known as O-(ethylamino)phenol. Its EINECS number is 210-391-1. This chemical's molecular formula is C8H11NO and molecular weight is 137.18. What's more, its systematic name is 2-(ethylamino)phenol.

Physical properties of Phenol, 2-(ethylamino)- are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 8.6; (6)ACD/BCF (pH 7.4): 12.76; (7)ACD/KOC (pH 5.5): 144.73; (8)ACD/KOC (pH 7.4): 214.7; (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: 1.6; (14)Molar Refractivity: 42.37 cm3; (15)Molar Volume: 123.8 cm3; (16)Polarizability: 16.79×10-24 cm3; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.107 g/cm3; (19)Flash Point: 114.8 °C; (20)Enthalpy of Vaporization: 50.13 kJ/mol; (21)Boiling Point: 244.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0191 mmHg at 25°C.

Preparation: this chemical can be prepared by N-ethyl-aniline at the temperature of -20 °C. This reaction will need reagents H2O2, SbF5-HF with the reaction time of 15 min. The yield is about 40.5%.

 

Phenol, 2-(ethylamino)- can be prepared by N-ethyl-aniline

Uses of Phenol, 2-(ethylamino)-: it can be used to produce 2-chloro-3-ethyl-1-oxa-3-aza-2-phospha-indan by heating. It will need reagents PCl3, H2O with the reaction time of 2 hours. The yield is about 73%. 

Phenol, 2-(ethylamino)- can be used to produce 2-chloro-3-ethyl-1-oxa-3-aza-2-phospha-indan

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Oc1ccccc1NCC
(2)InChI: InChI=1/C8H11NO/c1-2-9-7-5-3-4-6-8(7)10/h3-6,9-10H,2H2,1H3
(3)InChIKey: BCESCHGDVIYYPC-UHFFFAOYAM