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| CAS No.: | 97-32-5 |
|---|---|
| Name: | 3-NITRO-4-METHOXYBENZANILIDE |
| Article Data: | 2 |
| Molecular Structure: | |
|
|
|
| Formula: | C14H12 N2 O4 |
| Molecular Weight: | 272.26 |
| Synonyms: | p-Anisanilide,3-nitro- (8CI); 3-Nitro-p-anisanilide; 4-Methoxy-3-nitro-N-phenylbenzamide; NSC50649 |
| EINECS: | 202-572-9 |
| Density: | 1.333g/cm3 |
| Boiling Point: | 382.3°Cat760mmHg |
| Flash Point: | 185°C |
| Solubility: | Toxicity data (The meaning of"> negligible
Stability
Toxicology
Toxicity data |
| Appearance: | light tan powder |
| Safety: | Mutation data reported. When heated to decomposition it emits toxic vapors of NOx. |
| PSA: | 84.15000 |
| LogP: | 3.45190 |
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Chemistry
Molecule structure of 3-Nitro-p-anisanilide (CAS NO.97-32-5) :
IUPAC Name: 4-methoxy-3-nitro-N-phenylbenzamide
Molecular Weight: 272.25608 g/mol
Molecular Formula: C14H12N2O4
Density: 1.333 g/cm3
Boiling Point: 382.3 °C at 760 mmHg
Flash Point: 185 °C
Appreance: Light tan solid
Molar Volume: 204.1 cm3
Polarizability: 29.35*10-24 cm3
Surface Tension: 56.2 dyne/cm
Enthalpy of Vaporization: 63.07 kJ/mol
Vapour Pressure: 4.75E-06 mmHg at 25 °C
XLogP3-AA: 2.6
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 272.079707
MonoIsotopic Mass: 272.079707
Topological Polar Surface Area: 81.5
Heavy Atom Count: 20
Complexity: 350
Canonical SMILES: COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)[N+](=O)[O-]
InChI: InChI=1S/C14H12N2O4/c1-20-13-8-7-10(9-12(13)16(18)19)14(17)15-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,17)
InChIKey: YKOCPBMVMBUTAX-UHFFFAOYSA-N
EINECS: 202-572-9
Toxicity Data With Reference
| 1. | mic-sat 100 µLg/plate | EMMUEG Environmental and Molecular Mutagenesis. 19 (Suppl 21)(1992),2. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
Specification
3-Nitro-p-anisanilide (CAS NO.97-32-5) is also called 2-12-00-00258 (Beilstein Handbook Reference) ; 4-Methoxy-3-nitro-N-phenylbenzamide ; BRN 3397509 ; CCRIS 5842 ; NSC 50649 ; Benzamide, 4-methoxy-3-nitro-N-phenyl- ; p-Anisanilide, 3-nitro- . 3-Nitro-p-anisanilide (CAS NO.97-32-5) may be sensitive to prolonged exposure to air. And it is insoluble in water. 3-Nitro-p-anisanilide (CAS NO.97-32-5) is a nitrated benzamide. Organic amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx). 3-Nitro-p-anisanilide (CAS NO.97-32-5) is probably combustible.