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4-Hydroxyphenylacetamide

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Name

4-Hydroxyphenylacetamide

EINECS 241-235-0
CAS No. 17194-82-0 Density 1.244 g/cm3
PSA 63.32000 LogP 1.12030
Solubility soluble Melting Point 176-178 °C(lit.)
Formula C8H9 N O2 Boiling Point 403.9 °C at 760 mmHg
Molecular Weight 151.165 Flash Point 198.1 °C
Transport Information N/A Appearance beige fine crystalline powder
Safety 26-36-24/25-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 17194-82-0 (4-Hydroxyphenylacetamide) Hazard Symbols IrritantXi
Synonyms

Acetamide,2-(p-hydroxyphenyl)- (7CI,8CI);(4-Hydroxyphenyl)acetamide;(p-Hydroxyphenyl)acetamide;2-(4-Hydroxyphenyl)acetamide;2-(p-Hydroxyphenyl)acetamide;NSC 187193;p-(Carbamoylmethyl)phenol;

Article Data 21

4-Hydroxyphenylacetamide Consensus Reports

Reported in EPA TSCA Inventory.

4-Hydroxyphenylacetamide Specification

The 4-Hydroxyphenylacetamide, with the cas registry number 17194-82-0, has the IUPAC name of 2-(4-hydroxyphenyl)acetamide. And it is a kind of beige fine crystalline powder, with its product categories including Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Amides; Carbonyl Compounds; Organic Building Blocks.

The physical properties of this chemical are as follows: (1)ACD/LogP: -0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.29; (4)ACD/LogD (pH 7.4): -0.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.62; (8)ACD/KOC (pH 7.4): 16.57; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 41.24 cm3; (15)Molar Volume: 121.4 cm3; (16)Polarizability: 16.35 ×10-24 cm3; (17)Surface Tension: 56.4 dyne/cm; (18)Density: 1.244 g/cm3; (19)Flash Point: 198.1 °C; (20)Enthalpy of Vaporization: 68.07 kJ/mol; (21)Boiling Point: 403.9 °C at 760 mmHg; (22)Vapour Pressure: 4.22E-07 mmHg at 25°C; (23)Exact Mass: 151.063329; (24)MonoIsotopic Mass: 151.063329; (25)Topological Polar Surface Area: 63.3; (26)Heavy Atom Count: 11; (27)Formal Charge: 0; (28)Complexity: 139.

The production methods of this chemical are as follows: The first way is the ammoniation of p-hydroxyphenylacetic acidoyl; The second way: the para aminophenyl acetonitrile compose to get the p-hydroxybenzeneethanamide; The third way: p-Hydroxyacetophenone could react with ammonium sulfide to get this chemical.

As to its usage, it is widely applied in many ways. It is usually applied in composing atenolol which is a kind of β-paralysor, and it could also be used in curing hypertension, angina, arrhythmia cordis and also has some effect to  glaucoma; Besides, it is used as the intermediate of pharmaceutic and organic synthesis.

When you are dealing with this chemical, please be cautious. For being a kind of irritant chemical to eyes, respiratory system and skin, it may cause inflammation to the skin or other mucous membranes. Therefore, you should take the following instructions. Wear suitable protective clothing, gloves and eye/face protection, and then avoid contacting with skin and eyes. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1CC(=O)N)O
(2)InChI: InChI=1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11)
(3)InChIKey: YBPAYPRLUDCSEY-UHFFFAOYSA-N 

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