M-Dinitrobenzene 99% AR

CAT: 1278-01057 00500Size: 500 gDry Ice: NoHazardous: No

1 / 1

CAT#:1278-01057 00500Size:500 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

99-65-0

HS Code

29042020

Packaging Group

Chemical Information

1,3-Dinitrobenzene

m-Dinitrobenzene can cause male reproductive toxicity according to The Environmental Protection Agency (EPA).

CAS Number	99-65-0
PubChem CID	7452
IUPAC Name	1,3-dinitrobenzene
Molecular Formula	C6H4N2O4
Molecular Weight	168.11
XLogP	1.5
Topological Polar Surface Area	91.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	175

SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H

InChIKey

WDCYWAQPCXBPJA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 99-65-0

CID: 7452

Formula: C6H4N2O4

MW: 168.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.11
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	168.01710661
Monoisotopic Mass	168.01710661
Topological Polar Surface Area	91.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	175
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

Catalog	Name
00766 00025	1-Chloro-2,4-Dinitrobenzene 99% AR
00766 00100	1-Chloro-2,4-Dinitrobenzene 99% AR
00884 00500	M-Cresol 99% AR
01862 00005	M-Nitrophenol Indicator 99% AR
01862 00025	M-Nitrophenol Indicator 99% AR
01056 00500	M-Dinitrobenzene 98% For Synthesis
00981 00500	Diethanolamine 99% AR
01441 00100	Indole 99% AR
00793 00100	Cholesterol 99% AR
01346 00500	Hexamine 99% AR

Catalog	Name
13427-72	m-Dinitrobenzene
01057 00500	M-Dinitrobenzene 99% AR
01056 00500	M-Dinitrobenzene 98% For Synthesis
273319-01	1,2-Dinitrobenzene
411141-01	1,3-Dinitrobenzene
S-1675	14-Dinitrobenzene - 1ML
OR1079234-01	1,4-Dinitrobenzene
D46600-01	O-Dinitrobenzene 95%
S-1670	12-Dinitrobenzene - 1ML
D46620-01	P-Dinitrobenzene 97%