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3218-49-3,MFCD00001909
Catalog No.:AA003IDO
3218-49-3 | 3,4-Dichlorophenylacetonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
25g
98%
in stock  
$36.00   $25.00
- +
100g
98%
in stock  
$115.00   $80.00
- +
500g
98%
in stock  
$508.00   $356.00
- +
  • Technical Information
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  • Q & A
  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003IDO
Chemical Name:
3,4-Dichlorophenylacetonitrile
CAS Number:
3218-49-3
Molecular Formula:
C8H5Cl2N
Molecular Weight:
186.0380
MDL Number:
MFCD00001909
IUPAC Name:
2-(3,4-dichlorophenyl)acetonitrile
InChI:
InChI=1S/C8H5Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2
InChI Key:
QWZNCAFWRZZJMA-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)Cl)Cl
EC Number:
221-743-9
NSC Number:
111725
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:
184.98g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.035g/mol
Monoisotopic Mass:
184.98g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

Synonyms
 
3,4-Dichlorophenylacetonitrile 
3218-49-3 
MFCD00001909 
3,4-Dichlorophenylacetonitrile, 98% 
2-(3,4-dichlorophenyl)ethanenitrile 
(3,4-dichlorphenyl)acetonitril 
EINECS 221-743-9 
NSC111725 
PubChem16506 
AI3-12074 
AC1L2RGJ 
ACMC-1AGM6 
2-(3,4-dichlorophenyl)acetonitrile 
AC1Q3HN0 
AC1Q3HN1 
AC1Q3O8F 
SCHEMBL2308 
KSC222G0N 
3,4-DCCN 
3,4-dichloro-phenylacetonitrile 
3,4-dichlorophenyl acetonitrile 
3,4-dichlorophenyl-acetonitrile 
3,4-dichlorophenylaceto-nitrile 
3,4-Dichlorobenzyl cyanide 
Jsp005962 
CTK1C2306 
DTXSID70185959 
OTAVA-BB 1287069 
(3,4-dichlorophenyl)-acetonitrile 
ZINC164770 
KS-00000M5T 
STR03683 
(3,4-dichloro-phenyl)-acetonitrile 
ANW-27299 
(3,4-Dichlorophenyl)acetonitrile 
SBB063342 
AKOS001141970 
AC-2970 
ACN-050965 
AN-6005 
AS01669 
CS-W007701 
MCULE-2748633856 
NSC-111725 
PS-4611 
Benzeneacetonitrile, 3,4-dichloro- 
RP24590 
RTR-033188 
TRA0044600 
AJ-16280 
AK-46738 
BC203449 
BR-46738 
CJ-02217 
FS000811 
SC-25941 
3,4-?Dichlorophenylacetonitrile 
ZB008289 
AB0012156 
ST2409289 
TL8002447 
TR-033188 
AM20061095 
D1794 
FT-0614240 
ST50406497 
EN300-21758 
3,4-dichlorobenzylcyanide 
18D493 
A25098 
M-2500 
I01-1357 
W-106851 
Benzeneacetonitrile, 3,4-dichloro-;4,4-Dichlorophenylacetonitrile 
InChI=1/C8H5Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H 
C8H5Cl2N 
C8-H5-Cl2-N 
KST-1A3870 
3,4-dichlorobenzeneacetonitrile 
CID76690 
AR-1A3827 
3,4-Dichlorophenylacetonitrile, 98% - 100G 100g 
3319-99-1 
QWZNCAFWRZZJMA-UHFFFAOYSA-N 
Literature
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