Home Carboxes 53278-85-6
53278-85-6,MFCD11855827
Catalog No.:AA003ID5
53278-85-6 | 3,4-Dichloro-2,6-dinitrotoluene
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$172.00   $120.00
- +
5g
98%
in stock  
$572.00   $400.00
- +
25g
98%
in stock  
$1,524.00   $1,067.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003ID5
Chemical Name:
3,4-Dichloro-2,6-dinitrotoluene
CAS Number:
53278-85-6
Molecular Formula:
C7H4Cl2N2O4
Molecular Weight:
251.0237
MDL Number:
MFCD11855827
IUPAC Name:
1,2-dichloro-4-methyl-3,5-dinitrobenzene
InChI:
InChI=1S/C7H4Cl2N2O4/c1-3-5(10(12)13)2-4(8)6(9)7(3)11(14)15/h2H,1H3
InChI Key:
BIHKGLGGTMRFRS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Cl)c(c(c1C)[N+](=O)[O-])Cl
Properties
Computed Properties
 
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.955g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.019g/mol
Monoisotopic Mass:
249.955g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
53278-85-6 
3,4-DICHLORO-2,6-DINITROTOLUENE 
ANW-31687 
MFCD11855827 
ZINC34611993 
AKOS015848370 
AJ-89740 
AX8228922 
ST2402961 
TR-018843 
V6442 
B-8190 
1,2-Dichloro-4-methyl-3,5-dinitrobenzene 
I01-11497 
C7H4Cl2N2O4 
1,2-dichloro-4-methyl-3,5-dinitro-benzene 
ACMC-1AOTJ 
SCHEMBL8536360 
CTK4J7432 
DTXSID90575833 
BIHKGLGGTMRFRS-UHFFFAOYSA-N 
2,6-dinitro-3,4-dichlorotoluene 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A