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2-(Chloromethyl)-1-methyl-4-nitrobenzene

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Name

2-(Chloromethyl)-1-methyl-4-nitrobenzene

EINECS N/A
CAS No. 58966-24-8 Density 1.277 g/cm3
PSA 45.82000 LogP 3.16520
Solubility N/A Melting Point 50 °C
Formula C8H8ClNO2 Boiling Point 320.7 °C at 760 mmHg
Molecular Weight 185.61 Flash Point 147.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 58966-24-8 (2-(Chloromethyl)-1-methyl-4-nitrobenzene) Hazard Symbols N/A
Synonyms

o-Xylene, a2-chloro-4-nitro- (6CI,7CI);2-Methyl-5-nitrobenzyl chloride;

Article Data 3

2-(Chloromethyl)-1-methyl-4-nitrobenzene Specification

This chemical is called 2-(Chloromethyl)-1-methyl-4-nitrobenzene, and it can also be named as benzene, 2-(chloromethyl)-1-methyl-4-nitro-. With the molecular formula of C8H8ClNO2, its molecular weight is 185.61. The CAS registry number of this chemical is 58966-24-8, and its product category is Halometyl.

Other characteristics of the 2-(Chloromethyl)-1-methyl-4-nitrobenzene can be summarised as followings: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.68; (4)ACD/LogD (pH 7.4): 2.68; (5)ACD/BCF (pH 5.5): 63.76; (6)ACD/BCF (pH 7.4): 63.76; (7)ACD/KOC (pH 5.5): 681.23; (8)ACD/KOC (pH 7.4): 681.23; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 47.38 cm3; (15)Molar Volume: 145.2 cm3; (16)Polarizability: 18.78×10-24cm3; (17)Surface Tension: 44.7 dyne/cm; (18)Density: 1.277 g/cm3; (19)Flash Point: 147.8 °C; (20)Enthalpy of Vaporization: 54 kJ/mol; (21)Boiling Point: 320.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000585 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: ClCc1cc(ccc1C)[N+]([O-])=O
2.InChI: InChI=1/C8H8ClNO2/c1-6-2-3-8(10(11)12)4-7(6)5-9/h2-4H,5H2,1H3
3.InChIKey: HBCZMIJXNQCIDC-UHFFFAOYAC

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