1-Butyl-1-nitrosourea

Base Information

• Chemical Name: 1-Butyl-1-nitrosourea
• CAS No.: 869-01-2
• Molecular Formula: C5H11 N3 O2
• Molecular Weight: 145.161
• Hs Code.: 2924199090
• NSC Number: 45639
• UNII: 77IB43T49K
• DSSTox Substance ID: DTXSID2020214
• Nikkaji Number: J3.343J
• Wikidata: Q27266585
• Mol file: 869-01-2.mol

Synonyms:1-butyl-1-nitrosourea;butylnitrosourea;N-butyl-N-nitrosourea;N-nitrosobutylurea

Chemical Property of 1-Butyl-1-nitrosourea

Chemical Property:

• Vapor Pressure: 0.123mmHg at 25°C
• Melting Point: 83.25°C
• Refractive Index: 1.6600 (estimate)
• Boiling Point: 218.9°C at 760 mmHg
• Flash Point: 86.2°C
• PSA: 75.76000
• Density: 1.22g/cm³
• LogP: 1.54890
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 145.085126602
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

N-NITROSO-N-BUTYLUREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Nitrogen Compounds
• Canonical SMILES: CCCCN(C(=O)N)N=O

Technology Process of 1-Butyl-1-nitrosourea

There total 3 articles about 1-Butyl-1-nitrosourea 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:

1-butyl-urea (592-31-4) → 1-butyl-1-nitrosourea (869-01-2)

Guidance literature:

With sodium perchlorate; sodium nitrite; at 9.9 - 29.9 ℃; Rate constant; Mechanism; Thermodynamic data; ΔH(excit.), -ΔS(excit.); various acids as catalysts (AcOH, ClCH2CO2H, Cl2CHCO2H, Cl3CO2H, HClO4); also primary kinetic isotope effect;

DOI:10.1002/(SICI)1097-4601(1996)28:4<307::AID-KIN9>3.0.CO;2-Z

Reference yield:

1-butyl-urea (592-31-4) + cis-nitrous acid (7782-77-6) → 1-butyl-1-nitrosourea (869-01-2)

Guidance literature:

Reference yield:

→ 1-butyl-1-nitrosourea (869-01-2)

Guidance literature:

DOI:10.1016/0032-3950(69)90314-1

upstream raw materials:

1-butyl-urea

cis-nitrous acid

Downstream raw materials:

1-butylene

diazobutane

butan-1-ol

NBP-Bu

Refernces

• 1、 Alatorre,Zapiain,Quintana,Martinez. "Kinetic study of the nitrosation of N-alkylureas in dioxane-acetic acid mixtures". . p. 145 - 150. Retrieved 2007/10/03.