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CAS No.: | 13081-17-9 | ||||
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Name: | 4-CHLORO-2-CYCLOHEXYLPHENOL | ||||
Article Data: | 8 | ||||
Molecular Structure: | |||||
Formula: | C12H15ClO | ||||
Molecular Weight: | 210.704 | ||||
Synonyms: | 2-Cyclohexyl-4-chlorophenol; | ||||
EINECS: | 235-988-4 | ||||
Density: | 1.163 g/cm3 | ||||
Melting Point: | 59 °C | ||||
Boiling Point: | 267.9 °C at 760 mmHg | ||||
Flash Point: | 115.8 °C | ||||
Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; | ||||
Risk Codes: | 36/37/38 | ||||
Safety: |
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PSA: | 20.23000 | ||||
LogP: | 4.09330 |
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The Phenol,4-chloro-2-cyclohexyl-, with the CAS registry number 13081-17-9, is also known as 4-Chloro-2-cyclohexylphenol. Its EINECS registry number is 235-988-4. This chemical's molecular formula is C12H15ClO and molecular weight is 210.6999. What's more, its IUPAC name is 4-Chloro-2-cyclohexylphenol.
Physical properties about Phenol,4-chloro-2-cyclohexyl- are: (1)ACD/LogP: 4.95; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.95; (4)ACD/LogD (pH 7.4): 4.94; (5)ACD/BCF (pH 5.5): 3376.88; (6)ACD/BCF (pH 7.4): 3364.55; (7)ACD/KOC (pH 5.5): 11676.14; (8)ACD/KOC (pH 7.4): 11633.52; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 58.89 cm3; (15)Molar Volume: 181 cm3; (16)Surface Tension: 43.3 dyne/cm; (17)Density: 1.163 g/cm3; (18)Flash Point: 115.8 °C; (19)Enthalpy of Vaporization: 52.64 kJ/mol; (20)Boiling Point: 267.9 °C at 760 mmHg; (21)Vapour Pressure: 0.0048 mmHg at 25 °C; (22)Polarizability: 23.34×10-24cm3.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(c(O)cc1)C2CCCCC2
(2) InChI: InChI=1/C12H15ClO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h6-9,14H,1-5H2
(3) InChIKey: XRUHXAQEOJDPEG-UHFFFAOYAK