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CAS No.: | 15862-38-1 |
---|---|
Name: | 3-BROMO-2-HYDRAZINO-5-NITROPYRIDINE |
Molecular Structure: | |
Formula: | C5H5BrN4O2 |
Molecular Weight: | 233.0228 |
Synonyms: | Pyridine,3-bromo-2-hydrazino-5-nitro- (8CI);3-Bromo-2-hydrazino-5-nitropyridine; |
Density: | 1.986 g/cm3 |
Melting Point: | 170℃ |
Boiling Point: | 355.2 °C at 760 mmHg |
Flash Point: | 168.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 96.76000 |
LogP: | 2.33440 |
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The IUPAC name of 3-Bromo-2-hydrazino-5-nitropyridine is (3-bromo-5-nitropyridin-2-yl)hydrazine. With the CAS registry number 15862-38-1, it is also named as Pyridine,3-bromo-2-hydrazinyl-5-nitro-. The product's categories are Blocks; Bromides; Pyridines. In addition, its molecular formula is C5H5BrN4O2 and molecular weight is 233.0228.
The other characteristics of 3-Bromo-2-hydrazino-5-nitropyridine can be summarized as: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.81; (4)ACD/LogD (pH 7.4): 0.81; (5)ACD/BCF (pH 5.5): 2.44; (6)ACD/BCF (pH 7.4): 2.44; (7)ACD/KOC (pH 5.5): 65.84; (8)ACD/KOC (pH 7.4): 65.86; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 65.19 Å2; (13)Index of Refraction: 1.735; (14)Molar Refractivity: 47.09 cm3; (15)Molar Volume: 117.3 cm3; (16)Polarizability: 18.66×10-24cm3; (17)Surface Tension: 84.3 dyne/cm; (18)Density: 1.986 g/cm3; (19)Flash Point: 168.6 °C; (20)Enthalpy of Vaporization: 60.03 kJ/mol; (21)Boiling Point: 355.2 °C at 760 mmHg; (22)Vapour Pressure: 3.18E-05 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Brc1cc(cnc1NN)[N+]([O-])=O
(2)InChI: InChI=1/C5H5BrN4O2/c6-4-1-3(10(11)12)2-8-5(4)9-7/h1-2H,7H2,(H,8,9)
(3)InChIKey: FGRGIVXZHDLCBP-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C5H5BrN4O2/c6-4-1-3(10(11)12)2-8-5(4)9-7/h1-2H,7H2,(H,8,9)
(5)Std. InChIKey: FGRGIVXZHDLCBP-UHFFFAOYSA-N