Heptafluorobutyronitrile

Base Information

• Chemical Name: Heptafluorobutyronitrile
• CAS No.: 375-00-8
• Molecular Formula: C4F7 N
• Molecular Weight: 195.04
• Hs Code.: 2926909090
• European Community (EC) Number: 206-781-6
• DSSTox Substance ID: DTXSID9059913
• Nikkaji Number: J213.573F
• Wikidata: Q81985260
• Mol file: 375-00-8.mol

Synonyms:Heptafluorobutyronitrile;375-00-8;2,2,3,3,4,4,4-heptafluorobutanenitrile;Butanenitrile, heptafluoro-;heptafluorobutanenitrile;EINECS 206-781-6;AI3-29337;Butanenitrile, 2,2,3,3,4,4,4-heptafluoro-;C4F7N;Perfluorobutyronitrile;CF3(CF2)2CN;SCHEMBL6301272;DTXSID9059913;C4-F7-N;1,2-ETHYLENEDIPHOSPHONICACID;MFCD00039480;AKOS006230611;FT-0603388;2,2,3,3,4,4,4-heptakis(fluoranyl)butanenitrile;A823705

Chemical Property of Heptafluorobutyronitrile

Chemical Property:

• Vapor Pressure: 957mmHg at 25°C
• Boiling Point: 18.8 °C at 760 mmHg
• Flash Point: °C
• PSA: 23.79000
• Density: 1.545 g/cm³
• LogP: 2.34288
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 194.99189614
• Heavy Atom Count: 12
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

Heptafluorobutyronitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 20/21/22-36/37/38
• Safety Statements: 36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(#N)C(C(C(F)(F)F)(F)F)(F)F

Technology Process of Heptafluorobutyronitrile

There total 11 articles about Heptafluorobutyronitrile 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: 98.1%

heptafluorobutyramide (662-50-0) → heptafluorobutyronitrile (375-00-8)

Guidance literature:

With niobium(V) oxide; at 400 ℃; for 10h; under 750.075 Torr; Gas phase;

Reference yield: 96.1%

dicumenechromium + N,N-Difluor-nonafluor-n-butylamin (812-47-5) → heptafluorobutyronitrile (375-00-8)

Guidance literature:

In further solvent(s); at 20°C, 15 h, in bis(trifluoromethyl)benzene;

DOI:10.1021/ja01080a033

Reference yield: 96.1%

bis(η-isopsopylbenzene)chromium(0) (12001-89-7) + N,N-Difluor-nonafluor-n-butylamin (812-47-5) → heptafluorobutyronitrile (375-00-8) + {(CH3)2HCC6H5}2Cr(1+) (51155-73-8)

Guidance literature:

In further solvent(s); in bis-(trifluormethyl)-benzene in bomb tube;

DOI:10.1021/ja01080a033

upstream raw materials:

heptafluorobutyramide

heptafluorobutyryl chloride

sodium (difluoroamino)difluoromethyltetrazolate

buta-2,3-dienenitrile

Downstream raw materials:

Propan-2-oxim-O-<2,2,3,3,4,4,4-heptafluor-imido-butyrat>

xenon difluoride

n-C₃F₇CNXeF cation

heptafluorobutyramide

Refernces

• 1、 Crawford, Margaret-J.,Klap?tke, Thomas M.,Radies, Hendrik. "Synthesis and characterization of perfluorinated nitriles and the corresponding sodium 5-perfluoroalkyltetrazolate salts". experimental part. p. 1199 - 1205. Retrieved 2009/04/07.
• 2、 Nakajima, Noriyuki,Saito, Miho,Kudo, Masabumi,Ubukata, Makoto. "Allyl, epoxy and glycosyl perfluoroimidates. One-pot preparation and reaction". . p. 3579 - 3588. Retrieved 2007/10/03.