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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 | Hazard Symbols | N/A | |
Synonyms |
Benzoic acid 2-(p-nitrophenyl)hydrazide; |
Article Data | 23 |
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. |