23138-50-3

Basic information

• Product Name: 4-ETHYLPHENYL ISOCYANATE
• Synonyms: 1-Ethyl-4-isocyanato-benzene;4-ETHYLPHENYL ISOCYANATE;p-ethylphenyl isocyanate;Isocyanic Acid 4-Ethylphenyl Ester;1-ethyl-4-isocyanatobenzene(SALTDATA: FREE)
• CAS NO: 23138-50-3
• Molecular Formula: C₉H₉NO
• Molecular Weight: 147.17
• EINECS: 245-446-9
• Product Categories: Isocyanates;Nitrogen Compounds;Organic Building Blocks
• Mol File: 23138-50-3.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 68 °C1 mm Hg(lit.)
• Flash Point: 190 °F
• Appearance: /
• Density: 1.024 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.218mmHg at 25°C
• Refractive Index: n20/D 1.527(lit.)
• Sensitive: Moisture Sensitive
• BRN: 971100
• CAS DataBase Reference: 4-ETHYLPHENYL ISOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-ETHYLPHENYL ISOCYANATE(23138-50-3)
• EPA Substance Registry System: 4-ETHYLPHENYL ISOCYANATE(23138-50-3)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• RIDADR: UN 2206 6.1/PG 3
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 23138-50-3(Hazardous Substances Data)

Usage

General Description

4-ethylphenyl isocyanate, also known as 1-isocyanato-4-ethylbenzene, is a chemical compound with the molecular formula C9H9NO. It is a derivative of isocyanate and is commonly used in the synthesis of various organic compounds, such as pharmaceuticals, agrochemicals, and polymers. 4-ethylphenyl isocyanate is a highly reactive compound that can cause irritation to the skin, eyes, and respiratory system upon contact or inhalation. It is important to handle and store this chemical with great care and follow proper safety protocols to avoid potential health hazards.

InChI:InChI=1/C9H9NO/c1-2-8-3-5-9(6-4-8)10-7-11/h3-6H,2H2,1H3

Upstream product

• 32315-10-9 bis(trichloromethyl) carbonate 
• 589-16-2 4-aminoethylbenzene 
• 33537-17-6 ethyl 2-hydroxy-3-methyl-3-butenoate 
• 55258-95-2 2'-amino-4-ethylbiphenyl 
• 503-38-8 trichloromethyl chloroformate 
• 75-44-5 phosgene 

Downstream Products

• 42609-58-5 1-(4-Ethyl-phenyl)-3-(1-methyl-1-phenyl-ethyl)-urea 
• 34204-03-0 C₂₁H₂₅N₃O₄ 
• 104654-03-7 (4-Ethyl-phenyl)-carbamic acid 2-piperidin-1-yl-ethyl ester; hydrochloride 
• 221218-67-3 (4-ethyl-phenyl)-carbamic acid 2-(4-dibenzylsulfamoyl-phenyl)-2-oxo-ethyl ester 
• 259142-36-4 p-[N-(p-Ethylbenzene)]toluamide 
• 154871-10-0 methyl 4-[3-(4-ethylphenyl)-2-oxo-5-oxazolidinyl]methoxybenzoate 
• 1006044-26-3 (S)-2-(methyl(tert-butoxycarbonyl)amino)propyl 4-ethylphenylcarbamate 

Relevant articles and documents

One-pot and novel route for the synthesis of 4-substituted-1,2,4- triazolidine-3,5-diones

The efficient and one-pot synthesis of 4-substituted-1,2,4-triazolidin-3,5- dione derivatives (4-substituted urazoles) via combination of triphosgene, substituted anilines, and ethyl carbazate in the presence of cesium carbonate is presented.

1-Aryl-3-(1-acylpiperidin-4-yl)urea inhibitors of human and murine soluble epoxide hydrolase: Structure-activity relationships, pharmacokinetics, and reduction of inflammatory pain

1,3-Disubstituted ureas possessing a piperidyl moiety have been synthesized to investigate their structure-activity relationships as inhibitors of the human and murine soluble epoxide hydrolase (sEH). Oral administration of 13 1-aryl-3-(1-acylpiperidin-4-yl)urea inhibitors in mice revealed substantial improvements in pharmacokinetic parameters over previously reported 1-adamantylurea based inhibitors. For example, 1-(1-(cyclopropanecarbonyl) piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea (52) showed a 7-fold increase in potency, a 65-fold increase in Cmax, and a 3300-fold increase in AUC over its adamantane analogue 1-(1-adamantyl)-3-(1-propionylpiperidin-4-yl) urea (2). This novel sEH inhibitor showed a 1000-fold increase in potency when compared to morphine by reducing hyperalgesia as measured by mechanical withdrawal threshold using the in vivo carrageenan induced inflammatory pain model.

Quantitative Structure-Activity Relationships of Insecticidal Pyrazolines

Methyl 3-(4-chlorophenyl)-4-methyl-1--2-pyrazoline-4-carboxylates and related compounds were prepared. Their convulsant activity was determined as the minimum dose required to bring about the symptom within 1 h after injection against male adult American cockroaches, Periplaneta americana (L.). Insecticidal activity with metabolic inhibitors for oxidation and hydrolysis was measured 24 h after injection of the test compounds. Variations in each of the activities were analysed by using physicochemical substituent parameters and regression analysis. The findings indicated that the greater the hydrophobicity and the more the electron-withdrawing property of the substituents, the higher were the activities. Variations in each of the two activities were parabolically related to the STERIMOL width parameter with an optimum value of about zero.