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 Number	121-14-2
PubChem CID	8461
IUPAC Name	1-methyl-2,4-dinitrobenzene
Molecular Formula	C7H6N2O4
Molecular Weight	182.13
XLogP	2
Topological Polar Surface Area	91.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	220

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

CAS: 121-14-2

CID: 8461

Formula: C7H6N2O4

MW: 182.13

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	182.13
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	182.03275668
Monoisotopic Mass	182.03275668
Topological Polar Surface Area	91.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	220
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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2,4 Dinitrotoluene pure, 98%

Chemical Information

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