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EINECS 218-267-9
CAS No. 2100-42-7 Density 1.155 g/cm3
PSA 18.46000 LogP 2.35720
Solubility practically insoluble in water Melting Point 8.1 °C
Formula C8H9ClO2 Boiling Point 238.233 °C at 760 mmHg
Molecular Weight 172.611 Flash Point 92.654 °C
Transport Information N/A Appearance clear light pink to green or blue liquid
Safety 37/39-26 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 2100-42-7 (2-Chloro-1,4-dimethoxybenzene) Hazard Symbols HarmfulXn

1-Chloro-2,5-dimethoxybenzene;2,5-Dimethoxychlorobenzene;2-Chloro-4-methoxyanisole;Chloro-1,4-dimethoxybenzene;Chlorohydroquinonedimethyl ether;Monochloro-1,4-dimethoxybenzene;NSC 60152;

Article Data 36

2-Chloro-1,4-dimethoxybenzene Specification

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

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