2-Chloro-1,4-dimethoxybenzene

The 2-Chloro-1,4-dimethoxybenzene, with the CAS registry number 2100-42-7, is also known as Benzene, 2-chloro-1,4-dimethoxy-. It belongs to the product category of Pesticide Intermediate. Its EINECS registry number is 218-267-9. This chemical's molecular formula is C₈H₉ClO₂ and molecular weight is 172.61. Its IUPAC name is called 2-chloro-1,4-dimethoxybenzene. This chemical is clear light pink to green or blue liquid.

Physical properties of 2-Chloro-1,4-dimethoxybenzene: (1)ACD/LogP: 2.11; (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): 24; (6)ACD/BCF (pH 7.4): 24; (7)ACD/KOC (pH 5.5): 336; (8)ACD/KOC (pH 7.4): 336; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.7; (13)Molar Refractivity: 49.645 cm³; (14)Molar Volume: 128.412 cm³; (15)Surface Tension: 73.1 dyne/cm; (16)Density: 1.516 g/cm³; (17)Flash Point: 157.367 °C; (18)Enthalpy of Vaporization: 57.976 kJ/mol; (19)Boiling Point: 336.594 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,4-dimethoxy-benzene. This reaction will need reagent potassium chloride, oxone and solvent H₂O, acetonitrile. The reaction temperature is 20 ℃. The yield is about 70%.

Uses of 2-Chloro-1,4-dimethoxybenzene: it can be used to produce 1-chloro-4-iodo-2,5-dimethoxy-benzene . This reaction will need reagent acetic acid, ICl.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC(=C(C=C1)OC)Cl
(2)InChI: InChI=1S/C8H9ClO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3
(3)InChIKey: QMXZSRVFIWACJH-UHFFFAOYSA-N