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Benzoic acid,2-(4-nitrophenyl)hydrazide

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Name

Benzoic acid,2-(4-nitrophenyl)hydrazide

EINECS N/A
CAS No. 1088-95-5 Density 1.361 g/cm3
PSA 86.95000 LogP 3.33880
Solubility N/A Melting Point 193-194 °C(Solv: ethanol (64-17-5))
Formula C13H11N3O3 Boiling Point 394.2 °C at 760 mmHg
Molecular Weight 257.249 Flash Point 192.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1088-95-5 (Benzoic acid 2-(p-nitrophenyl)hydrazide) Hazard Symbols N/A
Synonyms

Benzoic acid 2-(p-nitrophenyl)hydrazide;

Article Data 23

Benzoic acid,2-(4-nitrophenyl)hydrazide Specification

The Benzoic acid, 2-(4-nitrophenyl)hydrazide, with the CAS registry number 1088-95-5, is also known as Benzoic acid 2-(p-nitrophenyl)hydrazide. This chemical's molecular formula is C13H11N3O3 and molecular weight is 257.24. What's more, its IUPAC name is N'-(4-Nitrophenyl)benzohydrazide. This chemical's classification code is Agricultural Chemical; Fungicide, Bactericide, Wood Preservative.

Physical properties about Benzoic acid, 2-(4-nitrophenyl)hydrazide are: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.05; (4)ACD/LogD (pH 7.4): 3.05; (5)ACD/BCF (pH 5.5): 123.3; (6)ACD/BCF (pH 7.4): 123.29; (7)ACD/KOC (pH 5.5): 1092.27; (8)ACD/KOC (pH 7.4): 1092.13; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 69.37 Å2; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 70.96 cm3; (15)Molar Volume: 188.9 cm3; (16)Polarizability: 28.13×10-24 cm3; (17)Surface Tension: 62 dyne/cm; (18)Density: 1.361 g/cm3; (19)Flash Point: 192.2 °C; (20)Enthalpy of Vaporization: 64.41 kJ/mol; (21)Boiling Point: 394.2 °C at 760 mmHg; (22)Vapour Pressure: 2.02E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2ccc(NNC(=O)c1ccccc1)cc2
(2) InChI: InChI=1/C13H11N3O3/c17-13(10-4-2-1-3-5-10)15-14-11-6-8-12(9-7-11)16(18)19/h1-9,14H,(H,15,17)
(3) InChIKey: JJMHIEVGMFNTRR-UHFFFAOYAW

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 450mg/kg (450mg/kg)   Pharmaceutical Chemistry Journal Vol. 14, Pg. 162, 1980.

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