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CAS No.: | 112193-41-6 |
---|---|
Name: | 5-BROMOPYRIDINE-3-CARBOHYDRAZIDE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C6H6BrN3O |
Molecular Weight: | 216.037 |
Synonyms: | 5-Bromo-3-pyridinecarbohydrazide;5-Bromonicotinic acid hydrazide;5-Bromonicotinohydrazide; |
Density: | 1.709 g/cm3 |
Melting Point: | 204-205 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xn:Harmful; "> Xn:Harmful; |
PSA: | 68.01000 |
LogP: | 1.53880 |
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The 3-Pyridinecarboxylicacid, 5-bromo-, hydrazide, with the CAS registry number of 112193-41-6, is also known as 5-Bromonicotinohydrazide. This chemical's molecular formula is C6H6BrN3O and molecular weight is 216.04. What's more, its IUPAC name is 5-Bromopyridine-3-carbohydrazide. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 3-Pyridinecarboxylicacid, 5-bromo-, hydrazide are: (1)ACD/LogP: 0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.44; (4)ACD/LogD (pH 7.4): 0.44; (5)ACD/BCF (pH 5.5): 1.27; (6)ACD/BCF (pH 7.4): 1.27; (7)ACD/KOC (pH 5.5): 41.24; (8)ACD/KOC (pH 7.4): 41.25; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 36.44 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 44.55 cm3; (15)Molar Volume: 126.3 cm3; (16)Surface Tension: 61.8 dyne/cm; (17)Density: 1.709 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cncc(Br)c1)NN
(2) InChI: InChI=1/C6H6BrN3O/c7-5-1-4(2-9-3-5)6(11)10-8/h1-3H,8H2,(H,10,11)
(3) InChIKey: VERXTAUONOFMLH-UHFFFAOYAP