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