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916766-83-1

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Basic Information
CAS No.: 916766-83-1
Name: 3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole
Article Data: 2
Molecular Structure:
Molecular Structure of 916766-83-1 (3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole)
Formula: C11H11ClN2
Molecular Weight: 206.675
Synonyms: 3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole;4-(1-Methyl-1H-pyrazol-3-yl)benzyl bromide;4-(1-Methyl-1H-pyrazol-3-yl)benzyl bromide 97%;4-(1-Methyl-1H-pyrazol-3-yl)benzyl chloride 97%;4-(1-Methyl-1H-pyrazol-3-yl)benzyl chloride;3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole 97%
EINECS: 200-258-5
Density: 1.17 g/cm3
Melting Point: 78 °C
Boiling Point: 343.3 °C at 760 mmHg
Flash Point: 161.4 °C
Hazard Symbols: CorrosiveC
PSA: 17.82000
LogP: 2.82590
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Specification

This chemical is called 1H-Pyrazole, 3-[4-(chloromethyl)phenyl]-1-methyl-, and its systematic name is 3-[4-(chloromethyl)phenyl]-1-methyl-pyrazole. With the molecular formula of C11H11ClN2, its molecular weight is 206.68. The CAS registry number of this chemical is 916766-83-1.

Other characteristics of the 1H-Pyrazole, 3-[4-(chloromethyl)phenyl]-1-methyl- can be summarised as followings: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.19; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 17.82 Å2; (9)Index of Refraction: 1.589; (10)Molar Refractivity: 59.56 cm3; (11)Molar Volume: 176.5 cm3; (12)Polarizability: 23.61×10-24cm3; (13)Surface Tension: 40.2 dyne/cm; (14)Density: 1.17 g/cm3; (15)Flash Point: 161.4 °C; (16)Enthalpy of Vaporization: 56.39 kJ/mol; (17)Boiling Point: 343.3 °C at 760 mmHg; (18)Vapour Pressure: 0.000141 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Cn1ccc(n1)c2ccc(cc2)CCl
2.InChI: InChI=1/C11H11ClN2/c1-14-7-6-11(13-14)10-4-2-9(8-12)3-5-10/h2-7H,8H2,1H3
3.InChIKey: YLJMPTWMRVXTQQ-UHFFFAOYAZ