CAS No.3964-54-3,3-CHLORO-4-HYDROXYACETANILIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3964-54-3
Name:	3-CHLORO-4-HYDROXYACETANILIDE
Article Data:	17

Formula:	C₈H₈ClNO₂
Molecular Weight:	185.61
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;
EINECS:	223-570-4
Density:	1.396 g/cm³
Melting Point:	143-144°C
Boiling Point:	379.9 °C at 760 mmHg
Flash Point:	183.5 °C
Hazard Symbols:	R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:	36/37/38
Safety:	26-36
PSA:	49.33000
LogP:	2.07700

Total:38 Page 1 of 1 1

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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