2-CHLORO-6-NITROANISOLE

The CAS register number of Benzene,1-chloro-2-methoxy-3-nitro- is 80866-77-9. It also can be called as Anisole, 2-chloro-6-nitro- and the IUPAC name about this chemical is 1-chloro-2-methoxy-3-nitrobenzene. The molecular formula about this chemical is C₇H₆ClNO₃ and the molecular weight is 187.5804. It belongs to the following product categories which include Blocks; NitroCompounds; Miscellaneous and so on.

Physical properties about Benzene,1-chloro-2-methoxy-3-nitro- are: (1)ACD/LogP: 2.37; (2)ACD/LogD (pH 5.5): 2.37; (3)ACD/LogD (pH 7.4): 2.37; (4)ACD/BCF (pH 5.5): 37.22; (5)ACD/BCF (pH 7.4): 37.22; (6)ACD/KOC (pH 5.5): 463.41; (7)ACD/KOC (pH 7.4): 463.41; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 55.05Ų; (11)Index of Refraction: 1.559; (12)Molar Refractivity: 44.37 cm³; (13)Molar Volume: 137.2 cm³; (14)Polarizability: 17.59x10^-24cm³; (15)Surface Tension: 44.9 dyne/cm; (16)Enthalpy of Vaporization: 49.45 kJ/mol; (17)Boiling Point: 276.7 °C at 760 mmHg; (18)Vapour Pressure: 0.00798 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc(c1OC)[N+]([O-])=O
(2)InChI: InChI=1/C7H6ClNO3/c1-12-7-5(8)3-2-4-6(7)9(10)11/h2-4H,1H3
(3)InChIKey: MSBUQNLLSANFDL-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H6ClNO3/c1-12-7-5(8)3-2-4-6(7)9(10)11/h2-4H,1H3
(5)Std. InChIKey: MSBUQNLLSANFDL-UHFFFAOYSA-N