Home Fluorides 658-99-1
658-99-1,MFCD00009974
Catalog No.:AA003IEF
658-99-1 | 3,4-Difluorophenylacetonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$15.00   $10.00
- +
5g
98%
in stock  
$28.00   $19.00
- +
25g
98%
in stock  
$86.00   $60.00
- +
100g
98%
in stock  
$258.00   $180.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IEF
Chemical Name:
3,4-Difluorophenylacetonitrile
CAS Number:
658-99-1
Molecular Formula:
C8H5F2N
Molecular Weight:
153.1288
MDL Number:
MFCD00009974
IUPAC Name:
2-(3,4-difluorophenyl)acetonitrile
InChI:
InChI=1S/C8H5F2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2
InChI Key:
GNPYERUNJMDEFQ-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)F)F
EC Number:
211-528-8
Properties
Computed Properties
 
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.039g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.132g/mol
Monoisotopic Mass:
153.039g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
3,4-Difluorophenylacetonitrile 
658-99-1 
EINECS 211-528-8 
PubChem4157 
ACMC-1BAFD 
AC1Q4LBO 
AC1Q4NVT 
AC1L2C6E 
KSC493G1B 
SCHEMBL435376 
3,4-difluorophenyl acetonitrile 
CTK3J3310 
2-(3,4-difluorophenyl)acetonitrile 
TIMTEC-BB SBB006630 
DTXSID10215986 
ATTERCOP-CHM AT109931 
ZINC155245 
ACN-S004593 
JRD-0172 
KS-00000EH9 
(3,4-difluoro-phenyl)-acetonitrile 
ANW-35117 
SBB006630 
3,4-Difluorobenzyl cyanide 
WT1755 
WT2089 
3,4-Difluorophenylacetonitrile, 98% 
8-99-1 3,4-difluorobenzyl cyanide 
AKOS005207087 
2-(3,4-difluoro-phenyl)-acetonitrile 
AC-9789 
AM82825 
AN-6155 
AS01967 
(3,4-Difluorophenyl)acetonitrile 
CM13692 
CS-W008405 
MCULE-5047146452 
PF10732 
PS-8907 
RP21686 
RTC-062346 
TRA0073735 
658-99-1 3,4-difluorobenzyl cyanide 
AJ-13480 
Benzeneacetonitrile, 3,4-difluoro- 
AK-41734 
BR-41734 
CJ-01409 
L428 
SC-06131 
SY016893 
ZB005996 
AB0014699 
DB-024201 
TC-062346 
GNPYERUNJMDEFQ-UHFFFAOYSA-N 
4CH-006855 
FT-0083243 
FT-0614286 
ST24027494 
ST50824386 
A24138 
S-1375 
MFCD00009974 (97+%) 
658D991 
J-511156 
2-(3,4-difluorophenyl)ethanenitrile 
Z1741957934 
C8H5F2N 
(R)-1-(4-bromophenyl)ethanamine 
C8-H5-F2-N 
(R)-1-(4-Bromophenyl)ethylamine 
CID69572 
AR-1K6507 
ZINC00155245 
ACN-038920 
A7187 
MFCD00009974 
3,4-Difluorophenylacetonitrile, 98% - 1G 1g 
45791-36-4 
1492-11-1 
nc1r cf df 
Literature
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