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CAS No.: | 153812-97-6 |
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Name: | 2-CHLORO-5-ETHYLPHENOL |
Molecular Structure: | |
Formula: | C8H9ClO |
Molecular Weight: | 156.61 |
Synonyms: | 2-Chloro-5-ethylphenol; |
Density: | 1.18 g/cm3 |
Boiling Point: | 225.2 °C at 760 mmHg |
Flash Point: | 90 °C |
PSA: | 20.23000 |
LogP: | 2.60800 |
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The Phenol,2-chloro-5-ethyl-, with the CAS registry number 153812-97-6. It belongs to the product categories of Phenol & Thiophenol & Mercaptan; Chlorine Compounds; Phenols. This chemical's molecular formula is C8H9ClO and molecular weight is 156.61. What's more, its systematic name is 2-Chloro-5-ethylphenol.
Physical properties of Phenol,2-chloro-5-ethyl- are: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.03; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 118.1; (6)ACD/BCF (pH 7.4): 111.07; (7)ACD/KOC (pH 5.5): 1058.83; (8)ACD/KOC (pH 7.4): 995.78; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å2; (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: 90 °C; (20)Enthalpy of Vaporization: 48.05 kJ/mol; (21)Boiling Point: 225.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0586 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(CC)ccc1Cl
(2)InChI: InChI=1/C8H9ClO/c1-2-6-3-4-7(9)8(10)5-6/h3-5,10H,2H2,1H3
(3)InChIKey: CKMBKXCVJBMYOH-UHFFFAOYAX