4-ETHYLPHENYL ISOTHIOCYANATE

Base Information

• Chemical Name: 4-ETHYLPHENYL ISOTHIOCYANATE
• CAS No.: 18856-63-8
• Molecular Formula: C9H9NS
• Molecular Weight: 163.243
• Hs Code.: 29309090
• Mol file: 18856-63-8.mol

Synonyms:Isothiocyanicacid, p-ethylphenyl ester (6CI,8CI);1-Ethyl-4-isothiocyanatobenzene;4-Ethylphenyl isothiocyanate;p-Ethylphenyl isothiocyanate;

Chemical Property of 4-ETHYLPHENYL ISOTHIOCYANATE

Chemical Property:

• Appearance/Colour: clear, pale yellow liquid
• Vapor Pressure: 0.0229mmHg at 25°C
• Refractive Index: n20/D 1.62(lit.)
• Boiling Point: 257.8 °C at 760 mmHg
• Flash Point: 110.2 °C
• PSA: 44.45000
• Density: 1.01 g/cm³
• LogP: 2.98330
• Sensitive.: Moisture Sensitive

Purity/Quality:

99% ^*data from raw suppliers

4-Ethylphenyl isothiocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 23-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 4-ETHYLPHENYL ISOTHIOCYANATE

There total 10 articles about 4-ETHYLPHENYL ISOTHIOCYANATE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 79.0%

carbon disulfide (75-15-0,12122-00-8) + 4-aminoethylbenzene (589-16-2) → (4-ethylphenyl)isothiocyanate (18856-63-8)

Guidance literature:

carbon disulfide; 4-aminoethylbenzene; In water; ethyl acetate; at 30 ℃; for 1h;

With copper(ll) sulfate pentahydrate; In water; ethyl acetate; at 30 ℃; for 1h;

DOI:10.1039/d1ob00938a

Reference yield:

N-(4-ethyl-phenyl)-N'-[1]naphthyl-thiourea (475424-95-4) → (4-ethylphenyl)isothiocyanate (18856-63-8) + 1-amino-naphthalene (134-32-7) + 1-isothiocyanatonaphthalene (551-06-4) + 4-aminoethylbenzene (589-16-2)

Guidance literature:

Reference yield:

N-(4-ethyl-phenyl)-N'-phenyl-thiourea (95167-89-8) → (4-ethylphenyl)isothiocyanate (18856-63-8) + phenyl isothiocyanate (103-72-0) + aniline (62-53-3) + 4-aminoethylbenzene (589-16-2)

Guidance literature:

upstream raw materials:

N,N'-bis-(4-ethyl-phenyl)-thiourea

thiophosgene

4-aminoethylbenzene

N-(4-ethyl-phenyl)-N'-phenyl-thiourea

Downstream raw materials:

N-(4-ethyl-phenyl)-N'-[1]naphthyl-thiourea

C₂₂H₂₁N₅O₂S

N-(4-ethylphenyl)-5-methylbenzo[d]oxazol-2-amine

Refernces

• 1、 An, Zhenyu,Liu, Yafeng,Ren, Yi,Wang, Ting,Yan, Rulong. "A catalyst-free method for the synthesis of 1,4,2-dithiazoles from isothiocyanates and hydroxylamine triflic acid salts". supporting information. p. 6206 - 6209. Retrieved 2021/07/28.
• 2、 Jain, Rakesh Kumar,Mishra, Vikash Kumar,Kashaw, Varsha. "Synthesis and antimicrobial activity of some new 1,2,4-trizoles". . p. 1317 - 1322. Retrieved 2017/05/02.