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| CAS No.: | 14143-32-9 |
|---|---|
| Name: | 4-Chloro-3-ethylphenol |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C8H9ClO |
| Molecular Weight: | 156.612 |
| Synonyms: | 4-CHLORO-3-ETHYLPHENOL;CLMEP;Chloroethylphenol;4-Chloro-3-ethylphenol 98%;4-CHLORO-3-ETHYLPHENOL 95+%;Einecs 237-991-6;4-Chloro-3-ethylphen |
| EINECS: | 237-991-6 |
| Density: | 1.18 g/cm3 |
| Melting Point: | 45-50 °C(lit.) |
| Boiling Point: | 248.1 °C at 760 mmHg |
| Flash Point: | 103.9 °C |
| Appearance: | Light yellow to off-white solid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 20.23000 |
| LogP: | 2.60800 |
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Specification
The 4-Chloro-3-ethylphenol, with its CAS registry number 14143-32-9, is a kind of light yellow to off-white solid. And its product categories are including Phenol&Thiophenol&Mercaptan; Chlorine Compounds; Phenols; Organic Building Blocks; Oxygen Compounds.
The characteristics of this chemical are as below: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.42; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 232.83; (6)ACD/BCF (pH 7.4): 231.45; (7)ACD/KOC (pH 5.5): 1721.58; (8)ACD/KOC (pH 7.4): 1711.37; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 42.57 cm3; (15)Molar Volume: 132.6 cm3; (16)Polarizability: 16.87×10-24 cm3; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 103.9 °C; (20)Enthalpy of Vaporization: 50.5 kJ/mol; (21)Boiling Point: 248.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0157 mmHg at 25°C; (23)Exact Mass: 156.034193; (24)MonoIsotopic Mass: 156.034193; (25)Topological Polar Surface Area: 20.2; (26)Heavy Atom Count: 10; (27)Complexity: 105.
Use of this chemical: 4-Chloro-3-ethylphenol could react to produce 4-allyloxy-1-chloro-2-ethyl-benzene. This reaction could happen in the presence of the reagent of K2CO3 and the solvent of acetone with its yield of 72%.
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When you are dealing with this kind of chemical, you should be cautious. This is a kind of irritant chemical which is irritating to eyes, respiratory system and skin and it may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable gloves and eye/face protection. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCC1=C(C=CC(=C1)O)Cl
(2)InChI: InChI=1S/C8H9ClO/c1-2-6-5-7(10)3-4-8(6)9/h3-5,10H,2H2,1H3
(3)InChIKey: DVKVZPIRWWREJC-UHFFFAOYSA-N