Home Nitro Compounds 939-83-3
939-83-3,MFCD00017040
Catalog No.:AA003HKW
939-83-3 | 2-Methyl-5-Nitrobenzonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$10.00
- +
5g
98%
in stock  
$18.00
- +
10g
97+%
in stock  
$28.00
- +
25g
98%
in stock  
$50.00
- +
100g
98%
in stock  
$145.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HKW
Chemical Name:
2-Methyl-5-Nitrobenzonitrile
CAS Number:
939-83-3
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD00017040
IUPAC Name:
2-methyl-5-nitrobenzonitrile
InChI:
InChI=1S/C8H6N2O2/c1-6-2-3-8(10(11)12)4-7(6)5-9/h2-4H,1H3
InChI Key:
XOSDYLFXPMFRGF-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1C)N(=O)=O
NSC Number:
507493
Properties
Computed Properties
 
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
2-Methyl-5-nitrobenzonitrile 
939-83-3 
2-methyl-5-nitrobenzenecarbonitrile 
NSC507493 
4-Nitro-2-cyanotoluene 
AC1L6VNE 
5-Nitro-ortho-tolunitrile 
5-Nitro-2-methylbenzonitril 
6-methyl-3-nitrobenzonitrile 
KSC498C0H 
2-methyl-5-nitro benzonitrile 
6-methyl-3-nitro-benzonitrile 
5-Nitro-o-tolunitrile 
SCHEMBL1343971 
Benzonitrile,2-methyl-5-nitro- 
CTK3J8103 
KS-00000EDK 
XOSDYLFXPMFRGF-UHFFFAOYSA- 
DTXSID20325444 
ACN-S004448 
ACT07827 
ZINC2566095 
2-Methyl-5-nitrobenzonitrile, 97% 
Benzonitrile, 2-methyl-5-nitro- 
ANW-51649 
SBB037993 
STK377441 
AKOS000120710 
AC-3302 
AM61700 
AS05872 
CM13137 
CS-W002113 
MCULE-1383777536 
2-Cyano-4-nitrotoluene 
NSC-507493 
PS-5955 
RTR-029377 
TRA0062732 
AJ-41228 
AK-73098 
AN-13119 
BP-10743 
BR-73098 
CJ-09737 
4-Nitro-o-tolunitrile 
SC-13192 
SY004584 
AB0027772 
AB1000149 
DB-030869 
ST2410139 
TR-029377 
4CH-015263 
FT-0612981 
M2570 
MFCD00017040 
ST50114927 
W9648 
S-1388 
MFCD00017040 (97+%) 
AE-641/00686062 
I01-10001 
Z271137860 
InChI=1/C8H6N2O2/c1-6-2-3-8(10(11)12)4-7(6)5-9/h2-4H,1H3 
C8H6N2O2 
CID350143 
3-Cyano-4-methylnitrobenzene 
CB10110 
2-Methyl-5-nitrobenzonitrile, 98% - 5G 5g 
89001-53-6 
2-methyl-5-nitro-benzonitrile 
XOSDYLFXPMFRGF-UHFFFAOYSA-N 
Literature

Title: 5-(2-Methyl-5-nitro-phen-yl)-1H-tetra-zole.

Journal: Acta crystallographica. Section E, Structure reports online 20081001

Title: 2-Methyl-5-nitro-benzonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20080601

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