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2,4 Dinitrotoluene pure, 98%

CAT: 0565-19394-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0565-19394-01Size:25 g
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Description
Part B
CAS Number
121-14-2
Storage Temperature
25 - 32°C

Chemical Information

2,4-Dinitrotoluene

2,4-Dinitrotoluene can cause cancer according to an independent committee of scientific and health experts. It can cause male reproductive toxicity according to The Environmental Protection Agency (EPA).

CAS Number121-14-2
PubChem CID8461
IUPAC Name1-methyl-2,4-dinitrobenzene
Molecular FormulaC7H6N2O4
Molecular Weight182.13
XLogP2
Topological Polar Surface Area91.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity220
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3
InChIKey
RMBFBMJGBANMMK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dinitrotoluene
CAS: 121-14-2
CID: 8461
Formula: C7H6N2O4
MW: 182.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.13
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass182.03275668
Monoisotopic Mass182.03275668
Topological Polar Surface Area91.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity220
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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