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915707-66-3

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Basic Information
CAS No.: 915707-66-3
Name: 4-bromo-3-(chloromethyl)-1-methyl-1h-pyrazole
Molecular Structure:
Molecular Structure of 915707-66-3 (4-bromo-3-(chloromethyl)-1-methyl-1h-pyrazole)
Formula: C5H6BrClN2
Molecular Weight: 209.47
Synonyms: 4-bromo-3-(chloromethyl)-1-methyl-1h-pyrazole;4-Bromo-3-(chloromethyl)-1-methyl-1H-pyrazole 97%
Density: 1.73 g/cm3
Melting Point: 76.5 °C
Boiling Point: 279.9 °C at 760 mmHg
Flash Point: 123.1 °C
Hazard Symbols: CorrosiveC
PSA: 17.82000
LogP: 1.92140
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Specification

This chemical is called 1H-Pyrazole, 4-bromo-3-(chloromethyl)-1-methyl-, and its systematic name is 4-bromo-3-(chloromethyl)-1-methyl-pyrazole. With the molecular formula of C5H6BrClN2, its molecular weight is 209.47. The CAS registry number of this chemical is 915707-66-3.

Other characteristics of the 1H-Pyrazole, 4-bromo-3-(chloromethyl)-1-methyl- can be summarised as followings: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.21; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 17.82 Å2; (9)Index of Refraction: 1.612; (10)Molar Refractivity: 42.01 cm3; (11)Molar Volume: 120.7 cm3; (12)Polarizability: 16.65×10-24cm3; (13)Surface Tension: 44.1 dyne/cm; (14)Density: 1.73 g/cm3; (15)Flash Point: 123.1 °C; (16)Enthalpy of Vaporization: 49.78 kJ/mol; (17)Boiling Point: 279.9 °C at 760 mmHg; (18)Vapour Pressure: 0.00662 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Cn1cc(c(n1)CCl)Br
2.InChI: InChI=1/C5H6BrClN2/c1-9-3-4(6)5(2-7)8-9/h3H,2H2,1H3
3.InChIKey: WHHNKVUVLZLAAM-UHFFFAOYAB