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119291-22-4

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Basic Information
CAS No.: 119291-22-4
Name: 1-(2-BROMO-ETHYL)-1H-PYRAZOLE
Article Data: 8
Molecular Structure:
Molecular Structure of 119291-22-4 (1-(2-BROMO-ETHYL)-1H-PYRAZOLE)
Formula: C5H7BrN2
Molecular Weight: 175.028
Synonyms: 1-(2-Bromoethyl)-1H-pyrazole;1-(2-Bromoethyl)pyrazole;
Density: 1.55 g/cm3
Boiling Point: 221.1 °C at 760 mmHg
Flash Point: 87.5 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
PSA: 17.82000
LogP: 1.27800
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Specification

The 1H-Pyrazole, 1-(2-bromoethyl)-, with the CAS registry number of 119291-22-4, is also known as 1-(2-Bromoethyl)-1H-pyrazole. This chemical's molecular formula is C5H7BrN2 and molecular weight is 175.03. What's more, its IUPAC name is 1-(2-Bromoethyl)pyrazole. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 1H-Pyrazole, 1-(2-bromoethyl)- are: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/LogD (pH 7.4): 1.14; (5)ACD/BCF (pH 5.5): 4.37; (6)ACD/BCF (pH 7.4): 4.37; (7)ACD/KOC (pH 5.5): 99.96; (8)ACD/KOC (pH 7.4): 99.97; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 37.6 cm3; (15)Molar Volume: 112.2 cm3; (16)Surface Tension: 44.6 dyne/cm; (17)Density: 1.55 g/cm3; (18)Flash Point: 87.5 °C; (19)Enthalpy of Vaporization: 43.89 kJ/mol; (20)Boiling Point: 221.1 °C at 760 mmHg; (21)Vapour Pressure: 0.162 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCCn1nccc1
(2) InChI: InChI=1/C5H7BrN2/c6-2-5-8-4-1-3-7-8/h1,3-4H,2,5H2
(3) InChIKey: PFSTUXCXMBDZRM-UHFFFAOYAM