CAS No.104599-36-2,3,5-dibromo-4-nitro-1H-pyrazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	104599-36-2
Name:	3,5-dibromo-4-nitro-1H-pyrazole
Article Data:	6

Formula:	C₃HBr₂N₃O₂
Molecular Weight:	270.868
Synonyms:	3,5-Dibromo-4-nitropyrazole;
Density:	2.575g/cm³
Melting Point:	168-170 °C
Boiling Point:	328.451 °C at 760 mmHg
Flash Point:	152.442 °C
PSA:	74.50000
LogP:	2.36610

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Specification

The 1H-Pyrazole,3,5-dibromo-4-nitro-, with the CAS registry number 104599-36-2, is also known as 3,5-Dibromo-4-nitropyrazole. This chemical's molecular formula is C₃HBr₂N₃O₂ and molecular weight is 270.87. What's more, its systematic name is 3,5-dibromo-4-nitro-1H-pyrazole.

Physical properties of 1H-Pyrazole,3,5-dibromo-4-nitro- are: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 74.5 Å²; (13)Index of Refraction: 1.701; (14)Molar Refractivity: 40.703 cm³; (15)Molar Volume: 105.191 cm³; (16)Polarizability: 16.136×10^-24cm³; (17)Surface Tension: 82.998 dyne/cm; (18)Density: 2.575 g/cm³; (19)Flash Point: 152.442 °C; (20)Enthalpy of Vaporization: 54.818 kJ/mol; (21)Boiling Point: 328.451 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1nnc(Br)c1[N+](=O)[O-]
(2)InChI: InChI=1/C3HBr2N3O2/c4-2-1(8(9)10)3(5)7-6-2/h(H,6,7)
(3)InChIKey: HUEFSFAVCVCTAX-UHFFFAOYAM