Cyclohexylurea

Base Information

• Chemical Name: Cyclohexylurea
• CAS No.: 698-90-8
• Molecular Formula: C7H14N2O
• Molecular Weight: 142.201
• Hs Code.: 2924299090
• European Community (EC) Number: 211-822-6
• NSC Number: 27454,23790
• UNII: EYE4CFF4RV
• DSSTox Substance ID: DTXSID20220102
• Nikkaji Number: J23.462A
• Wikidata: Q72460167
• Mol file: 698-90-8.mol

Synonyms:Cyclohexylurea;1-Cyclohexylurea;698-90-8;N-Cyclohexylurea;Urea, cyclohexyl-;NSC 27454;EYE4CFF4RV;EINECS 211-822-6;NSC 23790;BRN 0636914;MFCD00014286;NSC-23790;NSC-27454;EC 211-822-6;4-12-00-00052 (Beilstein Handbook Reference);CYCLOHEXYL UREA;Urea, N-cyclohexyl-;amino-N-cyclohexylamide;cyclohexyl-urea;monocyclohexylurea;n'-cyclohexylurea;N'-cyclohexyl urea;N'-cyclohexyl-urea;UNII-EYE4CFF4RV;MONOCYCLOHEXYL UREA;cyclohexylurea;1-Phenylurea;SCHEMBL78650;DTXSID20220102;HMS1609O11;NSC23790;NSC27454;AC9450;BBL002996;STK375220;AKOS000120696;BS-3808;AC-15251;AMY202100117;SY049431;LS-159642;C2034;FT-0607680;EN300-17167;C-9230;A834639;A836685;Z56896929;F1967-0964

Chemical Property of Cyclohexylurea

Chemical Property:

• Appearance/Colour: powder
• Vapor Pressure: 0.0381mmHg at 25°C
• Melting Point: 194-196 °C
• Refractive Index: 1.5
• Boiling Point: 240.3 °C at 760 mmHg
• PKA: 13.97±0.20(Predicted)
• Flash Point: 99.2 °C
• PSA: 55.12000
• Density: 1.05 g/cm³
• LogP: 2.07860
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 142.110613074
• Heavy Atom Count: 10
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

Cyclohexylurea ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC(CC1)NC(=O)N

Technology Process of Cyclohexylurea

There total 39 articles about Cyclohexylurea 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: 98.0%

isocyanic acid (75-13-8) + cyclohexylamine (108-91-8,157973-60-9) → N'-cyclohexylurea (698-90-8)

Guidance literature:

at 160 ℃;

Reference yield: 90.0%

cyclohexylamine (108-91-8,157973-60-9) → N'-cyclohexylurea (698-90-8)

Guidance literature:

With urea; In water;

Reference yield: 90.0%

N-cyanocyclohexylamine (4421-48-1) → N'-cyclohexylurea (698-90-8)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

1-Cyclohexyl-biuret

potassium cyanate

cyclohexylamine hydrochloride

1-methyl-1-nitrosourea

Downstream raw materials:

3-(N'-cyclohexyl-ureido)-crotonic acid ethyl ester

3-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester

N-Cyclohexyl-N'-cyclohexylcarbamoyl-formamidin

N,N-difluoroaminocyclohexane

Refernces

• 1、 álvarez, Daniel,Cadierno, Victorio,Crochet, Pascale,González-Fernández, Rebeca,López, Ramón,Menéndez, M. Isabel. "Catalytic hydration of cyanamides with phosphinous acid-based ruthenium(ii) and osmium(ii) complexes: scope and mechanistic insights". . p. 4084 - 4098. Retrieved 2020/07/09.
• 2、 Basu, Priyanka,Dey, Tusar Kanto,Ghosh, Aniruddha,Biswas, Surajit,Khan, Aslam,Islam, Sk. Manirul. "An efficient one-pot synthesis of industrially valuable primary organic carbamates and: N -substituted ureas by a reusable Merrifield anchored iron(ii)-anthra catalyst [FeII(Anthra-Merf)] using urea as a sustainable carbonylation source". . p. 2630 - 2643. Retrieved 2020/02/20.