CAS No.58966-24-8,2-(Chloromethyl)-1-methyl-4-nitrobenzene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	58966-24-8
Name:	2-(Chloromethyl)-1-methyl-4-nitrobenzene
Article Data:	3

Formula:	C₈H₈ClNO₂
Molecular Weight:	185.61
Synonyms:	o-Xylene, a2-chloro-4-nitro- (6CI,7CI);2-Methyl-5-nitrobenzyl chloride;
Density:	1.277 g/cm³
Melting Point:	50 °C
Boiling Point:	320.7 °C at 760 mmHg
Flash Point:	147.8 °C
PSA:	45.82000
LogP:	3.16520

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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