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CAS No.: | 850567-95-2 |
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Name: | 4-(HYDRAZINECARBONYL)PHENYLBORONIC ACID |
Molecular Structure: | |
Formula: | C7H9BN2O3 |
Molecular Weight: | 179.97 |
Synonyms: | Benzohydrazide 4-boronic acid; |
Density: | 1.36 g/cm3 |
Melting Point: | 236-240 °C |
Hazard Symbols: | Xi |
PSA: | 95.58000 |
LogP: | -0.93890 |
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The 4-(Hydrazinecarbonyl)benzeneboronic acid, with the CAS registry number 850567-95-2, is also known as Benzohydrazide 4-boronic acid. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C7H9BN2O3 and molecular weight is 179.97. What's more, its systematic name is called [4-(Hydrazinecarbonyl)phenyl]boronic acid. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. In addition, you should keep it cold.
Physical properties about 4-(Hydrazinecarbonyl)benzeneboronic acid are: (1) # of Rule of 5 Violations: 1; (2) #H bond acceptors: 5; (3) #H bond donors: 5; (4) #Freely Rotating Bonds: 5; (5) Polar Surface Area: 95.58 Å2; (6) Index of Refraction: 1.602; (7) Molar Refractivity: 45.3 cm3; (8) Molar Volume: 131.9 cm3; (9) Surface Tension: 63.8 dyne/cm; (10) Density: 1.36 g/cm3; (11) Melting Point: 236-240 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: B(c1ccc(cc1)C(=O)NN)(O)O
(2) InChI: InChI=1/C7H9BN2O3/c9-10-7(11)5-1-3-6(4-2-5)8(12)13/h1-4,12-13H,9H2,(H,10,11)
(3) InChIKey: TZOYLNOZUCPDCL-UHFFFAOYAV