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| CAS No.: | 16766-30-6 |
|---|---|
| Name: | 4-CHLORO-2-METHOXYPHENOL |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C7H7ClO2 |
| Molecular Weight: | 158.584 |
| Synonyms: | Guaiacol,4-chloro- (6CI);2-Methoxy-4-chlorophenol;4-Chloro-2-methoxyphenol;4-Chloroguaiacol;p-Chloroguaiacol;4-chloro-5-methoxyphenol; |
| Density: | 1.281 g/cm3 |
| Melting Point: | 16-17 °C(lit.) |
| Boiling Point: | 242.425 °C at 760 mmHg |
| Flash Point: | 100.415 °C |
| Solubility: | It is slightly soluble in water. |
| Appearance: | clear pale yellow to light brown liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 29.46000 |
| LogP: | 2.05420 |
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Specification
The Phenol,4-chloro-2-methoxy-, with CAS registry number 16766-30-6, belongs to the following product categories: (1)Aromatic Hydrocarbons (substituted) & Derivatives; (2)Phenol & Thiophenol & Mercaptan; (3)Anisoles, Alkyloxy Compounds & Phenylacetates; (4)Chlorine Compounds; (5)Phenols; (6)Organic Building Blocks; (7)Oxygen Compounds. It has the systematic name of 4-chloro-2-methoxyphenol. This chemical is a kind of clear pale yellow to light brown liquid. And the chemical formula of this chemical is C7H7ClO2.
Physical properties of Phenol,4-chloro-2-methoxy-: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 36.76; (6)ACD/BCF (pH 7.4): 36.49; (7)ACD/KOC (pH 5.5): 459.33; (8)ACD/KOC (pH 7.4): 455.95; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 39.7 cm3; (15)Molar Volume: 123.8 cm3; (16)Polarizability: 15.74×10-24cm3; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.28 g/cm3; (19)Flash Point: 100.4 °C; (20)Enthalpy of Vaporization: 49.88 kJ/mol; (21)Boiling Point: 242.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0218 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-methoxy-phenol. This reaction will need reagent SO2Cl2 and solvent CHCl3. The reaction temperature is 35 ℃. The yield is about 77%.
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Uses of Phenol,4-chloro-2-methoxy-: it can be used to produce 4-Chloro-2-methoxy-6-nitrophenol. This reaction will need reagents100 % HNO3, AcOH. The reaction time is 1 hour(s) with reaction temperature of 10℃. The yield is about 41%.
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When you are using this chemical, please be cautious about it as the following:
The Phenol,4-chloro-2-methoxy- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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)c(O)cc1
(2)InChI: InChI=1/C7H7ClO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
(3)InChIKey: FVZQMMMRFNURSH-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C7H7ClO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
(5)Std. InChIKey: FVZQMMMRFNURSH-UHFFFAOYSA-N