2-CHLORO-3-NITROBENZALDEHYDE

The CAS registry number of Benzaldehyde,2-chloro-3-nitro- is 58755-57-0. This chemical's molecular formula is C₇H₄ClNO₃ and molecular weight is 185.56. What's more, its systematic name is called 2-Chloro-3-nitrobenzaldehyde.

Physical properties about Benzaldehyde,2-chloro-3-nitro- are: (1)ACD/LogP: 2.36; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 29; (6)ACD/BCF (pH 7.4): 29; (7)ACD/KOC (pH 5.5): 390; (8)ACD/KOC (pH 7.4): 390; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.89 Å²; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 44.446 cm³; (15)Molar Volume: 124.892 cm³; (16)Polarizability: 17.62×10^-24 cm³; (17)Surface Tension: 57.346 dyne/cm; (18)Density: 1.486 g/cm³; (19)Flash Point: 131.3 °C; (20)Enthalpy of Vaporization: 53.307 kJ/mol; (21)Boiling Point: 293.493 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25 °C.

Preparation of Benzaldehyde,2-chloro-3-nitro-: this chemical can be prepared by 2-chloro-3-nitrobenzyl alcohol. The yield is 79 %. The reaction equation is as followed:

Uses of Benzaldehyde,2-chloro-3-nitro-: it can be used to produce other chemicals. For example, it is used to produce 2-fluoro-3-nitrobenzaldehyde. The reaction occurs with reagent KF and solvent dimethylformamide at 150 °C for 4 hours. The yield is 82 %. The reaction equation is as followed:

You can still convert the following datas into molecular structure:
(1) SMILES: O=N(=O)c1cccc(C=O)c1Cl
(2) InChI: InChI=1/C7H4ClNO3/c8-7-5(4-10)2-1-3-6(7)9(11)12/h1-4H
(3) InChIKey: WKIVBBWLRIFGHF-UHFFFAOYSA-N