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653-30-5,MFCD00013814
Catalog No.:AA003FAF

653-30-5 | 2,3,4,5,6-Pentafluorophenylacetonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$16.00   $12.00
- +
1g
98%
in stock  
$31.00   $22.00
- +
5g
98%
in stock  
$123.00   $86.00
- +
25g
98%
in stock  
$408.00   $286.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003FAF
Chemical Name:
2,3,4,5,6-Pentafluorophenylacetonitrile
CAS Number:
653-30-5
Molecular Formula:
C8H2F5N
Molecular Weight:
207.1002
MDL Number:
MFCD00013814
SMILES:
N#CCc1c(F)c(F)c(c(c1F)F)F
NSC Number:
612875
Properties
Properties
 
BP:
107-111 °C17 mm Hg(lit.)  
Form:
Liquid  
Refractive Index:
n20/D 1.439(lit.)  
Storage:
Room Temperature;Keep in dry area;  

Computed Properties
 
Complexity:
233  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.1  

Downstream Synthesis Route

[1]Filler,Robert;Fiebig,AugustE.;Pelister,M.Yavuz[JournalofOrganicChemistry,1980,vol.45,#7,p.1290-1295]

[2]Vlasov,V.M.;Yakobson,G.G.[JournalofOrganicChemistryUSSR(EnglishTranslation),1973,vol.9,p.1051-1056][ZhurnalOrganicheskoiKhimii,1973,vol.9,#5,p.1024-1031]

[1]Nakayama,Yasuhide;Inukai,Kazuo;Hayashi,Koichiro;Irie,Masahiro[BulletinoftheChemicalSocietyofJapan,1991,vol.64,#4,p.1226-1230]

[1]Bardin,V.V.;Furin,G.G.;Yakobson,G.G.[JournalofOrganicChemistryUSSR(EnglishTranslation),1984,vol.20,p.514-519][ZhurnalOrganicheskoiKhimii,1984,vol.20,#3,p.567-573]

[1]Nakayama,Yasuhide;Inukai,Kazuo;Hayashi,Koichiro;Irie,Masahiro[BulletinoftheChemicalSocietyofJapan,1991,vol.64,#4,p.1226-1230]

[1]Filler,Robert;Woods,SarahM.;White,WilliamL.[CanadianJournalofChemistry,1989,vol.67,p.1837-1841]

Literature
Quotation Request
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SDS
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Historical Records
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688054-05-9
Tags:653-30-5 Molecular Formula|653-30-5 MDL|653-30-5 SMILES|653-30-5 2,3,4,5,6-Pentafluorophenylacetonitrile
Catalog No.: AA003FAF
653-30-5,MFCD00013814
653-30-5 | 2,3,4,5,6-Pentafluorophenylacetonitrile
Pack Size： 250mg
Purity： 98%
in stock
$16.00 $12.00
Pack Size： 1g
Purity： 98%
in stock
$31.00 $22.00
Pack Size： 5g
Purity： 98%
in stock
$123.00 $86.00
Pack Size： 25g
Purity： 98%
in stock
$408.00 $286.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003FAF
Chemical Name: 2,3,4,5,6-Pentafluorophenylacetonitrile
CAS Number: 653-30-5
Molecular Formula: C8H2F5N
Molecular Weight: 207.1002
MDL Number: MFCD00013814
SMILES: N#CCc1c(F)c(F)c(c(c1F)F)F
NSC Number: 612875
Properties
BP: 107-111 °C17 mm Hg(lit.)  
Form: Liquid  
Refractive Index: n20/D 1.439(lit.)  
Storage: Room Temperature;Keep in dry area;  
Complexity: 233  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.1  
Downstream Synthesis Route
392-56-3    653-30-5    42238-34-6 

[1]Filler,Robert;Fiebig,AugustE.;Pelister,M.Yavuz[JournalofOrganicChemistry,1980,vol.45,#7,p.1290-1295]

[2]Vlasov,V.M.;Yakobson,G.G.[JournalofOrganicChemistryUSSR(EnglishTranslation),1973,vol.9,p.1051-1056][ZhurnalOrganicheskoiKhimii,1973,vol.9,#5,p.1024-1031]

653-30-5    134521-71-4    134521-71-4 

[1]Nakayama,Yasuhide;Inukai,Kazuo;Hayashi,Koichiro;Irie,Masahiro[BulletinoftheChemicalSocietyofJapan,1991,vol.64,#4,p.1226-1230]

653-30-5    91407-85-1    91407-86-2 

[1]Bardin,V.V.;Furin,G.G.;Yakobson,G.G.[JournalofOrganicChemistryUSSR(EnglishTranslation),1984,vol.20,p.514-519][ZhurnalOrganicheskoiKhimii,1984,vol.20,#3,p.567-573]

143-33-9    1765-40-8    653-30-5 

[1]Nakayama,Yasuhide;Inukai,Kazuo;Hayashi,Koichiro;Irie,Masahiro[BulletinoftheChemicalSocietyofJapan,1991,vol.64,#4,p.1226-1230]

151-50-8    1765-40-8    653-30-5    124614-44-4 

[1]Filler,Robert;Woods,SarahM.;White,WilliamL.[CanadianJournalofChemistry,1989,vol.67,p.1837-1841]

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