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39718-99-5

Basic Information
CAS No.: 39718-99-5
Name: p-Nitrobenzoic acid 2-phenylhydrazide
Article Data: 13
Molecular Structure:
Molecular Structure of 39718-99-5 (p-Nitrobenzoic acid 2-phenylhydrazide)
Formula: C13H11 N3 O3
Molecular Weight: 257.249
Synonyms: Benzoicacid, p-nitro-, 2-phenylhydrazide (6CI); 4-Nitrobenzoic acid phenylhydrazide;NSC 406774; p-Nitrobenzoic acid phenylhydrazide; p-Nitrobenzoicphenylhydrazide; b-p-Nitrobenzoylphenylhydrazine
Density: 1.2519 (rough estimate)
Boiling Point: 400.49°C (rough estimate)
Flash Point: 200.3oC
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx.
PSA: 86.95000
LogP: 3.33880
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    Benzoic acid, 4-nitro-,2-phenylhydrazide cas 39718-99-5Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Chemistry

IUPAC Name: 4-nitro-N'-phenylbenzohydrazide 
Empirical Formula: C13H11N3O3
Molecular Weight: 257.2447g/mol
Index of Refraction: 1.674
Molar Refractivity: 70.96 cm3
Molar Volume: 188.9 cm3
Polarizability: 28.13×10-24cm3
Surface Tension: 62 dyne/cm
Density: 1.361 g/cm3
Flash Point: 200.3 °C
Enthalpy of Vaporization: 65.94 kJ/mol
Boiling Point: 407.5 °C at 760 mmHg
Vapour Pressure: 7.49E-07 mmHg at 25°C 
SMILES: [O-][N+](=O)c2ccc(C(=O)NNc1ccccc1)cc2
InChI: InChI=1/C13H11N3O3/c17-13(15-14-11-4-2-1-3-5-11)10-6-8-12(9-7-10)16(18)19/h1-9,14H,(H,15,17)
InChIKey: UMNDVZQMQWFSOH-UHFFFAOYAN
Std. InChI: InChI=1S/C13H11N3O3/c17-13(15-14-11-4-2-1-3-5-11)10-6-8-12(9-7-10)16(18)19/h1-9,14H,(H,15,17)
Std. InChIKey: UMNDVZQMQWFSOH-UHFFFAOYSA-N
Structure of p-Nitrobenzoic acid 2-phenylhydrazide (CAS NO.39718-99-5):



 

Toxicity Data With Reference

1.    

orl-mus LD50:1200 mg/kg

    PCJOAU    Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 14 (1980),162.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx.

Specification

   p-Nitrobenzoic acid 2-phenylhydrazide , its cas register number is 39718-99-5. It also can be called 3-15-00-00164 (Beilstein Handbook Reference) ; AI3-07778 ; BRN 1843565 ; NSC 406774 . When heated to decomposition it emits toxic vapors of NOx.