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18113-03-6

Basic Information
CAS No.: 18113-03-6
Name: 2-CHLORO-4-METHOXYPHENOL
Article Data: 26
Molecular Structure:
Molecular Structure of 18113-03-6 (2-CHLORO-4-METHOXYPHENOL)
Formula: C7H7ClO2
Molecular Weight: 158.584
Synonyms: 查看更多英文别名"> 3-Chloro-4-hydroxyanisole;2-Chlorohydroquinonemonomethylether;2-Chloro-4-Methoxyphenol 5GR;2-chloro-4-methoxylphenol;2-chloro-4-methoxy-phenol;2-Chlor-4-methoxy-phenol;chloro-2 methoxy-4 phenol;3-CHLORO-4-HYDROXYANISOLE;2-Chloro-4-methoxyphenol;4-methoxy-2-chlorophenol;查看更多英文别名
EINECS: 242-007-3
Density: 1.281 g/cm3
Melting Point: 41-44 °C(lit.)
Boiling Point: 245.357 °C at 760 mmHg
Flash Point: 102.189 °C
Appearance: White to light yellow cryst. low melting solid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 29.46000
LogP: 2.05420
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  • 2-CHLORO-4-METHOXYPHENOL  CAS NO.18113-03-6

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Specification

The CAS register number of Phenol,2-chloro-4-methoxy- is 18113-03-6. It also can be called as 2-Chlorohydroquinonemonomethylether and the systematic name about this chemical is 2-chloro-4-methoxyphenol. The molecular formula about this chemical is C7H7ClO2 and the molecular weight is 158.58. It belongs to the following product categories which include Aromatic Hydrocarbons (substituted) & Derivatives; Phenol & Thiophenol & Mercaptan; Anisoles, Alkyloxy Compounds & Phenylacetates; Chlorine Compounds; Phenols; Organic Building Blocks; Oxygen Compounds and so on.

Physical properties about Phenol,2-chloro-4-methoxy- are: (1)ACD/LogP: 2.10; (2)ACD/LogD (pH 5.5): 2.1; (3)ACD/LogD (pH 7.4): 2.09; (4)ACD/BCF (pH 5.5): 23.12; (5)ACD/BCF (pH 7.4): 22.54; (6)ACD/KOC (pH 5.5): 329.56; (7)ACD/KOC (pH 7.4): 321.25; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 18.46 Å2; (12)Index of Refraction: 1.554; (13)Molar Refractivity: 39.7 cm3; (14)Molar Volume: 123.8 cm3; (15)Polarizability: 15.74x10-24cm3; (16)Surface Tension: 41.7 dyne/cm; (17)Density: 1.28 g/cm3; (18)Flash Point: 102.2 °C; (19)Enthalpy of Vaporization: 50.2 kJ/mol; (20)Boiling Point: 245.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0184 mmHg at 25 °C.

Uses of Phenol,2-chloro-4-methoxy-: it can be used to produce 2-Acetoxy-4-methoxy-phenol and acetic acid 3-chloro-2-hydroxy-5-methoxy-phenyl ester with acetic acid. This reaction will need reagent copper(II) acetate and heating. The reaction time is 24 hours. The yield is about 35%.

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 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: Clc1cc(OC)ccc1O
(2)InChI: InChI=1/C7H7ClO2/c1-10-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
(3)InChIKey: GNVRRKLFFYSLGT-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C7H7ClO2/c1-10-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
(5)Std. InChIKey: GNVRRKLFFYSLGT-UHFFFAOYSA-N