2,2-Difluorobutane

Base Information

• Chemical Name: 2,2-Difluorobutane
• CAS No.: 353-81-1
• Molecular Formula: C4H8 F2
• Molecular Weight: 94.1043
• Hs Code.: 2903399090
• European Community (EC) Number: 813-728-6
• DSSTox Substance ID: DTXSID70334440
• Nikkaji Number: J519.176I
• Wikidata: Q82100240
• Mol file: 353-81-1.mol

Synonyms:2,2-difluorobutane;353-81-1;butane, 2,2-difluoro-;Butane, 2,2-difluoro;DTXSID70334440;MFCD20489351;AKOS004904116

Chemical Property of 2,2-Difluorobutane

Chemical Property:

• Vapor Pressure: 542mmHg at 25°C
• Melting Point: -117.5°C
• Refractive Index: 1.319
• Boiling Point: 34.4°C at 760 mmHg
• PSA: 0.00000
• Density: 0.891g/cm³
• LogP: 2.05160
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 94.05940658
• Heavy Atom Count: 6
• Complexity: 40.8

Purity/Quality:

98%Min ^*data from raw suppliers

2,2-Difluorobutane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(F)F

Technology Process of 2,2-Difluorobutane

There total 16 articles about 2,2-Difluorobutane 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: 86.0%

Isobutyl iodide (513-38-2) → 2,2-difluorobutane (353-81-1)

Guidance literature:

With xenon difluoride; In chloroform-d1; at 20 ℃; for 2h;

DOI:10.1016/S0022-1139(99)00234-1

Reference yield: 61.0%

dimethylacetylene (503-17-3) → 2,2-difluorobutane (353-81-1)

Guidance literature:

With potassium hydrogen bifluoride; silicon tetrafluoride; for 16h; Ambient temperature;

DOI:10.1039/c39950001891

Reference yield:

butanone (78-93-3) → 2,2-difluorobutane (353-81-1)

Guidance literature:

With selenium(IV) fluoride; at 20 ℃; for 0.5h;

DOI:10.1021/ja00810a052

upstream raw materials:

but-1-yne

dimethylacetylene

2-chloro-but-2-ene

2-chloro-but-1-ene

Downstream raw materials:

hydrogen fluoride

Refernces

• 1、 Patrick, Timothy B.,Zhang, Likang,Li, Quinhua. "Rearrangement and double fluorination in the deiodinative fluorination of neopentyl iodide with xenon difluoride". . p. 11 - 15. Retrieved 2000.
• 2、 Xu, Wei,Martinez, Henry,Dolbier Jr., William R.. "Arylsulfur trifluorides: Improved method of synthesis and use as in situ deoxofluorination reagents". experimental part. p. 482 - 488. Retrieved 2011/08/03.