sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 2,3-DIMETHYL-2,3-DINITROBUTANE

2,3-DIMETHYL-2,3-DINITROBUTANE

CAS No.:
3964-18-9
Catalog Number:
AG003FJU
Molecular Formula:
C6H12N2O4
Molecular Weight:
176.1705
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10g
>98.0%(GC)
1 week
United States
$145
- +
25g
>98.0%(GC)
1 week
United States
$230
- +
Product Description
Catalog Number:
AG003FJU
Chemical Name:
2,3-DIMETHYL-2,3-DINITROBUTANE
CAS Number:
3964-18-9
Molecular Formula:
C6H12N2O4
Molecular Weight:
176.1705
MDL Number:
MFCD00007392
IUPAC Name:
2,3-dimethyl-2,3-dinitrobutane
InChI:
InChI=1S/C6H12N2O4/c1-5(2,7(9)10)6(3,4)8(11)12/h1-4H3
InChI Key:
DWCLXOREGBLXTD-UHFFFAOYSA-N
SMILES:
CC(C([N+](=O)[O-])(C)C)([N+](=O)[O-])C
EC Number:
223-569-9
NSC Number:
1156
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.08g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.172g/mol
Monoisotopic Mass:
176.08g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Terahertz spectroscopy of the explosive taggant 2,3-dimethyl-2,3-dinitrobutane. The journal of physical chemistry. A 20120628
Identification of explosives and explosive formulations using laser electrospray mass spectrometry. Rapid communications in mass spectrometry : RCM 20100615
Fragmentation pathways of 2,3-dimethyl-2,3-dinitrobutane cations in the gas phase. Rapid communications in mass spectrometry : RCM 20090901
A luminescent microporous metal-organic framework for the fast and reversible detection of high explosives. Angewandte Chemie (International ed. in English) 20090101
Analysis of volatile components of drugs and explosives by solid phase microextraction-ion mobility spectrometry. Journal of separation science 20080201
Solid-phase microextraction coupled to gas chromatography for the determination of 2,3-dimethyl-2,3-dinitrobutane as a marking agent for explosives. Talanta 20070615
Fluorescent detection of nitroaromatics and 2,3-dimethyl 2,3-dinitrobutane (DMNB) by a zinc complex: (salophen)Zn. Inorganic chemistry 20070528
Amplifying fluorescent polymer sensors for the explosives taggant 2,3-dimethyl-2,3-dinitrobutane (DMNB). Chemical communications (Cambridge, England) 20050928
Solid phase microextraction ion mobility spectrometer interface for explosive and taggant detection. Journal of separation science 20050201
Properties