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Home > Nitro Compounds > 116-66-5
116-66-5 | 1H-Indene, 2,3-dihydro-1,1,3,3,5-pentamethyl-4,6-dinitro-
CAS No: 116-66-5 Catalog No: AG000BCG MDL No:MFCD00021242
Product Description
Catalog Number:
AG000BCG
Chemical Name:
1H-Indene, 2,3-dihydro-1,1,3,3,5-pentamethyl-4,6-dinitro-
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 |
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