2-Nitrodiphenylamine - CAS 119-75-5
Catalog: |
BB004625 |
Product Name: |
2-Nitrodiphenylamine |
CAS: |
119-75-5 |
Synonyms: |
2-nitro-N-phenylaniline |
IUPAC Name: | 2-nitro-N-phenylaniline |
Description: | 2-Nitrodiphenylamine (CAS# 119-75-5) is a compound useful in organic synthesis. |
Molecular Weight: | 214.22 |
Molecular Formula: | C12H10N2O2 |
Canonical SMILES: | C1=CC=C(C=C1)NC2=CC=CC=C2[N+](=O)[O-] |
InChI: | InChI=1S/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H |
InChI Key: | RUKISNQKOIKZGT-UHFFFAOYSA-N |
Boiling Point: | 346 °C |
Melting Point: | 73-76 °C |
Purity: | 95 % |
Density: | 1.36 g/cm3 |
Solubility: | 1.1 [ug/mL] (The mean of the results at pH 7.4) |
Appearance: | Red crystalline flake or powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00007089 |
LogP: | 3.93460 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22304820 | 20120302 | Comparative analysis of smokeless gunpowders by Fourier transform infrared and Raman spectroscopy | Analytica chimica acta |
21793207 | 20110901 | Method validation for the determination of propellant components by Soxhlet extraction and gas chromatography/mass spectrometry | Journal of separation science |
18380463 | 20080514 | Diphenylamine metabolism in 'braeburn' apples stored under conditions conducive to the development of internal browning | Journal of agricultural and food chemistry |
17567286 | 20070701 | Development of a quantitative LC-MS/MS method for the analysis of common propellant powder stabilizers in gunshot residue | Journal of forensic sciences |
16774346 | 20060528 | Excitation spectra of nitro-diphenylaniline: accurate time-dependent density functional theory predictions for charge-transfer dyes | The Journal of chemical physics |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.074227566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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