Benzaldehyde,5-chloro-2-methoxy- (7035-09-8)

The 5-Chloro-2-methoxybenzaldehyde, with the CAS registry number 7035-09-8, is also called Benzaldehyde, 5-chloro-2-methoxy-. It belongs to the following product categories: Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Adehydes, Acetals & Ketones; Anisoles, Alkyloxy Compounds & Phenylacetates; Chlorine Compounds. The molecular formula of the chemical is C₈H₇ClO₂.

The characteristics of 5-Chloro-2-methoxybenzaldehyde are as followings: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.564; (8)Molar Refractivity: 44.57 cm³; (9)Molar Volume: 137 cm³; (10)Polarizability: 17.67×10^-24cm³; (11)Surface Tension: 40 dyne/cm; (12)Density: 1.244 g/cm³; (13)Flash Point: 117.7 °C; (14)Enthalpy of Vaporization: 50.19 kJ/mol; (15)Boiling Point: 264 °C at 760 mmHg; (16)Vapour Pressure: 0.00995 mmHg at 25°C.

Preparation of 5-Chloro-2-methoxybenzaldehyde: This chemical can be prepared by 2-methoxy-benzaldehyde. The reaction will need reagent Ca(OCl)₂, and the menstruum H₂O, acetic acid and acetone. The reaction time is 1 hour with temperature of 0°C, and the yield is about 93%. 

Uses of 5-Chloro-2-methoxybenzaldehyde: It can react with tetrabromomethane to produce 4-chloro-2-(2,2-dibromo-vinyl)-1-methoxy-benzene. This reaction will need reagent triphenyl phosphine, and the menstruum triphenyl phosphine. And the yield is about 84%.   

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(c(OC)cc1)C=O
(2)InChI: InChI=1/C8H7ClO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5H,1H3
(3)InChIKey: HXTWDGGMXZXOIV-UHFFFAOYAN