Butane, 4-fluoro-1-nitro-

Base Information

• Chemical Name: Butane, 4-fluoro-1-nitro-
• CAS No.: 372-82-7
• Molecular Formula: C4H8FNO2
• Molecular Weight: 0
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID80190695
• Nikkaji Number: J42.094H
• Wikidata: Q83063078
• Mol file: 372-82-7.mol

Synonyms:1-fluoro-4-nitrobutane;372-82-7;BUTANE, 4-FLUORO-1-NITRO-;4-Fluoro-1-nitrobutane;BRN 1749411;DTXSID80190695;LS-45917;EN300-1851420

Chemical Property of Butane, 4-fluoro-1-nitro-

Chemical Property:

• Vapor Pressure: 1.31mmHg at 25°C
• Boiling Point: 172.8°C at 760 mmHg
• Flash Point: 58.3°C
• PSA: 45.82000
• Density: 1.073g/cm³
• LogP: 1.53600
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 121.05390666
• Heavy Atom Count: 8
• Complexity: 70.9

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCF)C[N+](=O)[O-]

Technology Process of Butane, 4-fluoro-1-nitro-

There total 1 articles about Butane, 4-fluoro-1-nitro- 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:

4-bromo-1-fluorobutane (462-72-6) → 4-fluoro-1-nitrobutane (372-82-7)

Guidance literature:

With silver(I) nitrite; diethyl ether;

DOI:10.1021/ja01595a058

Reference yield:

4-fluoro-1-nitrobutane (372-82-7) → 4-fluorobutyraldehyde (462-74-8)

Guidance literature:

With sodium hydroxide; beim anschliessend mit wss.Schwefelsaeure;

DOI:10.1021/ja01600a051

Reference yield:

4-fluoro-1-nitrobutane (372-82-7) + N-benzoyl-2-bromoglycine methyl ester (101649-82-5) → methyl (2RS,3RS)-2-benzamido-6-fluoro-3-nitrohexanoate + methyl (2RS,3SR)-2-benzamido-6-fluoro-3-nitrohexanoate

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction. Yields of byproduct given; 1.) THF, HMPA, -78 deg C, 2.) THF, hexane, HMPA, -78 deg C, 4 h;

DOI:10.1016/0040-4020(95)00398-R

upstream raw materials:

4-bromo-1-fluorobutane

Downstream raw materials:

4-fluorobutyraldehyde

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