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Home Nitros 1,1,3,3,5-Pentamethyl-4,6-dinitroindane

1,1,3,3,5-Pentamethyl-4,6-dinitroindane

CAS No.:
116-66-5
Catalog Number:
AG000BCG
Molecular Formula:
C14H18N2O4
Molecular Weight:
278.3037
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$63
- +
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG000BCG
Chemical Name:
1,1,3,3,5-Pentamethyl-4,6-dinitroindane
CAS Number:
116-66-5
Molecular Formula:
C14H18N2O4
Molecular Weight:
278.3037
MDL Number:
MFCD00021242
IUPAC Name:
1,1,3,3,5-pentamethyl-4,6-dinitro-2H-indene
InChI:
InChI=1S/C14H18N2O4/c1-8-10(15(17)18)6-9-11(12(8)16(19)20)14(4,5)7-13(9,2)3/h6H,7H2,1-5H3
InChI Key:
UHWURQRPEIFIAK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)[N+](=O)[O-]
EC Number:
204-149-4
UNII:
1Q49IC9FAW
NSC Number:
60035
Properties
Complexity:
435  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.127g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.308g/mol
Monoisotopic Mass:
278.127g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Literature
Title Journal
Fully automated ionic liquid-based headspace single drop microextraction coupled to GC-MS/MS to determine musk fragrances in environmental water samples. Talanta 20120915
Multicomponent analytical methodology to control phthalates, synthetic musks, fragrance allergens and preservatives in perfumes. Talanta 20110715
High-sensitivity analysis of six synthetic musks by ultra-performance liquid chromatography-atmospheric pressure photoionization-tandem mass spectrometry. Analytical chemistry 20110615
Occurrence of synthetic musks in indoor dust from China and implications for human exposure. Archives of environmental contamination and toxicology 20110101
Optimization of a sensitive method for the determination of nitro musk fragrances in waters by solid-phase microextraction and gas chromatography with micro electron capture detection using factorial experimental design. Analytical and bioanalytical chemistry 20070801
Analysis of neutral nitromusks in incenses by capillary electrophoresis in organic solvents and gas chromatography-mass spectrometry. Electrophoresis 20050901
Simultaneous congener-specific determination of selected organochlorine compounds and nitro musks in human whole blood samples by solid-phase extraction and capillary gas chromatography with electron capture detection. Journal of analytical toxicology 20050301
Estrogenic activity of cosmetic components in reporter cell lines: parabens, UV screens, and musks. Journal of toxicology and environmental health. Part A 20050227
Further solid-phase microextraction-gas chromatography-mass spectrometry applications: 'on-fibre' and aqueous photodegradation of nitro musks. Journal of chromatography. A 20040903
Determination of musk compounds in sewage treatment plant sludge samples by solid-phase microextraction. Journal of chromatography. A 20030530
Nitromusk compounds in women with gynecological and endocrine dysfunction. Environmental research 20011201
Properties