Home Nitro Compounds 612-24-8
612-24-8,MFCD00007044
Catalog No.:AA003HPP
612-24-8 | 2-Nitrobenzonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
95%
in stock  
$66.00   $47.00
- +
25g
95%
in stock  
$149.00   $104.00
- +
100g
95%
in stock  
$468.00   $328.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA003HPP
Chemical Name:
2-Nitrobenzonitrile
CAS Number:
612-24-8
Molecular Formula:
C7H4N2O2
Molecular Weight:
148.1189
MDL Number:
MFCD00007044
IUPAC Name:
2-nitrobenzonitrile
InChI:
InChI=1S/C7H4N2O2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H
InChI Key:
SWBDKCMOLSUXRH-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1[N+](=O)[O-]
EC Number:
210-301-0
UNII:
DRC6U29FCI
NSC Number:
1994
Properties
Computed Properties
 
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.027g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.121g/mol
Monoisotopic Mass:
148.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Synonyms
 
2-Nitrobenzonitrile 
612-24-8 
CCRIS 2326 
NSC 1994 
2-nitrobenzenecarbonitrile 
EINECS 210-301-0 
DRC6U29FCI 
AI3-16688 
SWBDKCMOLSUXRH-UHFFFAOYSA-N 
2-Nitrobenzonitrile, 98% 
NSC1994 
2-nitro-benzonitrile 
o-Nitrobenzonitrile 
2-nitrobenzenenitrile 
Benzonitrile, nitro- 
PubChem15693 
1-nitro-2-cyanobenzene 
2-cyano-1-nitrobenzene 
AC1L1YFX 
AC1Q1WUO 
ACMC-1AZ5X 
2-Nitrobenzoic acid nitrile 
SCHEMBL56638 
o-Cyanonitrobenzene 
Benzonitrile, 2-nitro- (9CI) 
CTK1E9087 
KS-00000EEJ 
DTXSID80210100 
ZINC164603 
ACT07836 
NSC-1994 
ANW-33733 
CK1052 
SBB063017 
BENZONITRILE, o-NITRO- 
AKOS005141851 
AC-7382 
AM82820 
AN-9067 
AS02591 
MCULE-3743644472 
PS-5303 
RTR-021089 
TRA0060479 
VZ25083 
Benzonitrile, 2-nitro- 
2-Nitrobenzonitrile, >=99.0% (GC) 
AJ-16233 
AK-76839 
BR-76839 
LS-38763 
SC-62326 
ZB008222 
AB0030575 
DB-053814 
ST2417129 
2-Cyanonitrobenzene 
TR-021089 
4CH-015288 
FT-0081801 
FT-0613183 
N0171 
ST51035886 
X2780 
EN300-51194 
Z-3959 
A833110 
Nitrobenzonitrile 
I01-0086 
Z57899730 
F0001-1611 
InChI=1/C7H4N2O2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4 
58704-52-2 
1-Cyano-2-nitrobenzene 
(o-Nitrophenyl)acetonitrile 
C7H4N2O2 
C7-H4-N2-O2 
CID11922 
UNII-DRC6U29FCI 
ACN-050422 
2-Nitrobenzonitrile, 98% - 25G 25g 
MFCD00007044 
Literature
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