4-Nitrodiphenylamine - CAS 836-30-6
Catalog: |
BB037066 |
Product Name: |
4-Nitrodiphenylamine |
CAS: |
836-30-6 |
Synonyms: |
4-nitro-N-phenylaniline |
IUPAC Name: | 4-nitro-N-phenylaniline |
Description: | 4-Nitrodiphenylamine (CAS# 836-30-6) is a compound useful in organic synthesis. |
Molecular Weight: | 214.22 |
Molecular Formula: | C12H10N2O2 |
Canonical SMILES: | C1=CC=C(C=C1)NC2=CC=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C12H10N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H |
InChI Key: | XXYMSQQCBUKFHE-UHFFFAOYSA-N |
Boiling Point: | 211 °C (30 mmHg) |
Melting Point: | 132-136 °C |
Flash Point: | 190 °C |
Purity: | 97 % |
Density: | 1.28 g/cm3 |
Appearance: | Orange crystalline solid |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00007301 |
LogP: | 3.93460 |
Vapor Pressure: | 0.0000166 [mmHg] |
GHS Hazard Statement: | H315 (94.67%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
20933233 | 20101112 | The evaluation of solid phase micro-extraction fibre types for the analysis of organic components in unburned propellant powders | Journal of chromatography. A |
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 |
18969277 | 20040109 | Polarographic study on the evolution of the diphenylamine as stabiliser of the solid propellants | Talanta |
12113767 | 20020725 | Mutagenicity of sulfoscanate: a comparative study | Mutation research |
Complexity: | 226 |
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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