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| CAS No.: | 206761-84-4 |
|---|---|
| Name: | 3-PHENOXYBENZHYDRAZIDE |
| Molecular Structure: | |
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| Formula: | C13H12N2O2 |
| Molecular Weight: | 228.25 |
| Synonyms: | 1-Phenyloxybenzene-3-carbohydrazide;3-Phenoxybenzohydrazide; |
| Density: | 1.217 g/cm3 |
| Melting Point: | 108-110 °C |
| Hazard Symbols: | 36/37/38:; |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 64.35000 |
| LogP: | 3.17360 |
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Specification
The Benzoic acid,3-phenoxy-, hydrazide, with the CAS registry number 206761-84-4, is also known as 1-Phenoxybenzene-3-carbohydrazide. It belongs to the product categories of Aromatic Hydrazides; Hydrazines; Hydrazones and Oximes. This chemical's molecular formula is C13H12N2O2 and molecular weight is 228.25. What's more, its systematic name is called 3-Phenoxybenzohydrazide.
Physical properties about Benzoic acid,3-phenoxy-, hydrazide are: (1) ACD/LogP: 2.49; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.49; (4) ACD/LogD (pH 7.4): 2.49; (5) ACD/BCF (pH 5.5): 45.7; (6) ACD/BCF (pH 7.4): 45.83; (7) ACD/KOC (pH 5.5): 536.36; (8) ACD/KOC (pH 7.4): 537.81; (9) #H bond acceptors: 4; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 32.78 Å2; (13) Index of Refraction: 1.612; (14) Molar Refractivity: 65.22 cm3; (15) Molar Volume: 187.5 cm3; (16) Surface Tension: 50.8 dyne/cm; (17) Density: 1.217 g/cm3; (18) Melting Point: 108-110 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c2cc(Oc1ccccc1)ccc2)NN
(2) InChI: InChI=1/C13H12N2O2/c14-15-13(16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h1-9H,14H2,(H,15,16)
(3) InChIKey: AZEXBWWYRSXTTN-UHFFFAOYAH