CAS No.313735-62-5,4-Bromo-1-isopropyl-1H-pyrazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	313735-62-5
Name:	4-Bromo-1-isopropyl-1H-pyrazole
Article Data:	12

Formula:	C₆H₉BrN₂
Molecular Weight:	189.055
Synonyms:	4-Bromo-1-isopropyl-1H-pyrazole;
Density:	1.492 g/cm³;
Boiling Point:	213.539 °C at 760 mmHg
Flash Point:	82.946 °C
PSA:	17.82000
LogP:	2.22650

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Specification

The 1H-Pyrazole,4-bromo-1-(1-methylethyl)-, with the CAS registry number 313735-62-5, is also known as 4-Bromo-1-isopropyl-1H-pyrazole. It belongs to the product categories of Azoles; Blocks; Bromides. This chemical's molecular formula is C₆H₉BrN₂ and molecular weight is 189.05. What's more, its systematic name is 4-bromo-1-(propan-2-yl)-1H-pyrazole.

Physical properties of 1H-Pyrazole,4-bromo-1-(1-methylethyl)- are: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 14; (6)ACD/BCF (pH 7.4): 14; (7)ACD/KOC (pH 5.5): 232; (8)ACD/KOC (pH 7.4): 232; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 41.84 cm³; (15)Molar Volume: 126.674 cm³; (16)Polarizability: 16.587×10^-24cm³; (17)Surface Tension: 37.562 dyne/cm; (18)Density: 1.492 g/cm³; (19)Flash Point: 82.946 °C; (20)Enthalpy of Vaporization: 43.152 kJ/mol; (21)Boiling Point: 213.539 °C at 760 mmHg; (22)Vapour Pressure: 0.238 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)n1cc(Br)cn1
(2)Std. InChI: InChI=1S/C6H9BrN2/c1-5(2)9-4-6(7)3-8-9/h3-5H,1-2H3
(3)Std. InChIKey: HYWPFIXULAMLRZ-UHFFFAOYSA-N