Home Nitro Compounds 610-39-9
610-39-9,MFCD00007270
Catalog No.:AA003IGA
610-39-9 | 3,4-DINITROTOLUENE
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$541.00   $379.00
- +
500mg
95.0%
3 weeks  
$563.00   $394.00
- +
1g
95.0%
3 weeks  
$584.00   $409.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA003IGA
Chemical Name:
3,4-DINITROTOLUENE
CAS Number:
610-39-9
Molecular Formula:
C7H6N2O4
Molecular Weight:
182.1335
MDL Number:
MFCD00007270
IUPAC Name:
4-methyl-1,2-dinitrobenzene
InChI:
InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3
InChI Key:
INYDMNPNDHRJQJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-]
EC Number:
210-222-1
UNII:
V6PS4L6ZHT
NSC Number:
52216
RTECS Number:
XT2100000
UN Number:
3454
Properties
Computed Properties
 
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.033g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.135g/mol
Monoisotopic Mass:
182.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
3,4-dinitrotoluene 
3,4-DINITROTOLUENE 
EINECS 210-222-1 
NSC 52216 
V6PS4L6ZHT 
INYDMNPNDHRJQJ-UHFFFAOYSA-N 
DSSTox_CID_7240 
DSSTox_RID_78364 
DSSTox_GSID_27240 
CAS-610-39-9 
NSC52216 
AC1L1YCR 
4-Methyl-1,2-dinitrobenzene 
ACMC-1AY7D 
WLN: WNR D1 FNW 
3,4-DINITRO TOLUENE 
ghl.PD_Mitscher_leg0.941 
1-methyl-3,4-dinitrobenzene 
SCHEMBL294724 
1,2-DINO2 4-methyl benzene 
CHEMBL1489568 
DTXSID8027240 
4-Methyl-1,2-dinitrobenzene # 
610-39-9 
Benzene,4-methyl-1,2-dinitro- 
CTK5B2618 
CHEBI:142285 
ZINC4522885 
Tox21_202159 
Tox21_303210 
ANW-33661 
MFCD00007270 
NSC-52216 
STL386600 
3,4-DNT 
AKOS015889580 
AKOS015953311 
AS04415 
LS-2164 
MCULE-1085067576 
NCGC00091222-01 
NCGC00091222-02 
NCGC00091222-03 
NCGC00091222-04 
NCGC00257205-01 
Benzene, 4-methyl-1,2-dinitro- 
NCGC00259708-01 
NS-01599 
DB-030889 
TC-122406 
FT-0632542 
3,4-Dinitrotoluene 100 microg/mL in Acetonitrile 
AE-562/43458950 
I01-19373 
UNII-R64H0N1X9C component INYDMNPNDHRJQJ-UHFFFAOYSA-N 
InChI=1/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H 
Toluene, 3,4-dinitro- 
3,4 Dinitrotoluene 
3,4-Dinitroaniline 
3,4-Dinitrotolueno 
Benzene,2-dinitro- 
Toluene,4-dinitro- 
Dinitrotoluene, 3,4- 
DNU (CHRIS Code) 
C7-H6-N2-O4 
CID11883 
610-41-3 
UNII-V6PS4L6ZHT 
CCRIS 2839 
HSDB 5501 
Literature

Title: Evaluation of the dependence of aqueous solubility of nitro compounds on temperature and salinity: a COSMO-RS simulation.

Journal: Chemosphere 20110401

Title: Gas chromatography positive chemical ionization and tandem mass spectrometry for the analysis of organic high explosives.

Journal: Talanta 20050815

Title: The response of adult rat sertoli cells, immortalized by a temperature-sensitive mutant of SV40, to 1,2-dinitrobenzene, 1,3-dinitrobenzene, 2,4-dinitrotoluene, 3,4-dinitrotoluene, and cadmium.

Journal: Cell biology and toxicology 20030401

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