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3-Nitro-p-anisanilide

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Name

3-Nitro-p-anisanilide

EINECS 202-572-9
CAS No. 97-32-5 Density 1.333g/cm3
PSA 84.15000 LogP 3.45190
Solubility negligible

Stability

    Stable. Incompatible with strong oxidizing agents.

Toxicology

    Not hazardous according to Directive 67/548/EEC.

    Toxicity data
    (The meaning of

Melting Point N/A
Formula C14H12 N2 O4 Boiling Point 382.3°Cat760mmHg
Molecular Weight 272.26 Flash Point 185°C
Transport Information N/A Appearance light tan powder
Safety Mutation data reported. When heated to decomposition it emits toxic vapors of NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 97-32-5 (3-NITRO-4-METHOXYBENZANILIDE) Hazard Symbols N/A
Synonyms

p-Anisanilide,3-nitro- (8CI); 3-Nitro-p-anisanilide; 4-Methoxy-3-nitro-N-phenylbenzamide; NSC50649

Article Data 2

3-Nitro-p-anisanilide Chemical Properties

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

3-Nitro-p-anisanilide Toxicity Data With Reference

1.    

mic-sat 100 µLg/plate

    EMMUEG    Environmental and Molecular Mutagenesis. 19 (Suppl 21)(1992),2.

3-Nitro-p-anisanilide Consensus Reports

Reported in EPA TSCA Inventory.

3-Nitro-p-anisanilide Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.

3-Nitro-p-anisanilide 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.
 

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