Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | N/A | |
Synonyms |
o-Xylene, a2-chloro-4-nitro- (6CI,7CI);2-Methyl-5-nitrobenzyl chloride; |
Article Data | 3 |
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