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Acetamide,N-(3-chloro-4-hydroxyphenyl)-

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Name

Acetamide,N-(3-chloro-4-hydroxyphenyl)-

EINECS 223-570-4
CAS No. 3964-54-3 Density 1.396 g/cm3
PSA 49.33000 LogP 2.07700
Solubility N/A Melting Point 143-144°C
Formula C8H8ClNO2 Boiling Point 379.9 °C at 760 mmHg
Molecular Weight 185.61 Flash Point 183.5 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 3964-54-3 (Acetamide,N-(3-chloro-4-hydroxyphenyl)-) Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms

2-Chloro-4-acetamidophenol;Acetanilide,3'-chloro-4'-hydroxy- (6CI,7CI,8CI);2-Chloro-4-acetylaminophenol;3'-Chloro-4'-hydroxyacetanilide;4-Acetamido-2-chlorophenol;4-Acetylamino-2-chlorophenol;

Article Data 17

Acetamide,N-(3-chloro-4-hydroxyphenyl)- Specification

The Acetamide,N-(3-chloro-4-hydroxyphenyl)-, with the CAS registry number 3964-54-3 and EINECS registry number 223-570-4, has the systematic name of N-(3-chloro-4-hydroxyphenyl)acetamide. And the molecular formula of this chemical is C8H8ClNO2.

The physical properties of Acetamide,N-(3-chloro-4-hydroxyphenyl)- are as following: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 3.52; (6)ACD/BCF (pH 7.4): 3.25; (7)ACD/KOC (pH 5.5): 85.71; (8)ACD/KOC (pH 7.4): 79.04; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 47.3 cm3; (15)Molar Volume: 132.8 cm3; (16)Polarizability: 18.75×10-24cm3; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.396 g/cm3; (19)Flash Point: 183.5 °C; (20)Enthalpy of Vaporization: 65.25 kJ/mol; (21)Boiling Point: 379.9 °C at 760 mmHg; (22)Vapour Pressure: 2.6E-06 mmHg at 25°C.

Uses of Acetamide,N-(3-chloro-4-hydroxyphenyl)-: It can react with 3,4-dihydro-2H-pyran to produce N-[3-chloro-4-(tetrahydro-pyran-2-yloxy)-phenyl]-acetamide. This reaction will need reagent pyridinium p-toluenesulfonate, and the solvents ethyl acetate and CH2Cl2. The reaction time is 2 days with ambient temperature, and the yield is about 84%.

Acetamide,N-(3-chloro-4-hydroxyphenyl)- can react with 3,4-dihydro-2H-pyran to produce N-[3-chloro-4-(tetrahydro-pyran-2-yloxy)-phenyl]-acetamide

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(NC(=O)C)ccc1O
(2)InChI: InChI=1/C8H8ClNO2/c1-5(11)10-6-2-3-8(12)7(9)4-6/h2-4,12H,1H3,(H,10,11)
(3)InChIKey: JULKJDRBSRRBHT-UHFFFAOYAG

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