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1-(4-Chlorophenyl)cyclohexanecarboxylic acid

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Name

1-(4-Chlorophenyl)cyclohexanecarboxylic acid

EINECS 261-481-2
CAS No. 58880-37-8 Density 1.235 g/cm3
PSA 37.30000 LogP 3.62650
Solubility slightly soluble in Water Melting Point 150-156 °C
Formula C13H15ClO2 Boiling Point 378.9 °C at 760 mmHg
Molecular Weight 238.714 Flash Point 183 °C
Transport Information N/A Appearance Light grey powder and granules
Safety 24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 58880-37-8 (1-(4-CHLOROPHENYL)-1-CYCLOHEXANECARBOXYLIC ACID) Hazard Symbols N/A
Synonyms

1-(4-Chlorophenyl)cyclohexanecarboxylicacid;TAI 746;

Article Data 2

1-(4-Chlorophenyl)cyclohexanecarboxylic acid Specification

The Cyclohexanecarboxylicacid, 1-(4-chlorophenyl)-, with the CAS registry number 58880-37-8, is also known as 1-(4-Chlorophenyl)cyclohexanecarboxylicacid. Its EINECS registry number is 261-481-2. This chemical's molecular formula is C13H15ClO2 and molecular weight is 238.71. What's more, its IUPAC name is 1-(4-Chlorophenyl)cyclohexane-1-carboxylic acid.

Physical properties about Cyclohexanecarboxylicacid, 1-(4-chlorophenyl)- are: (1) ACD/LogP: 3.84; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.64; (4) ACD/LogD (pH 7.4): 0.85; (5) ACD/BCF (pH 5.5): 31.2; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 187.36; (8) ACD/KOC (pH 7.4): 3.03; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 26.3 Å2; (13) Index of Refraction: 1.565; (14) Molar Refractivity: 63.02 cm3; (15) Molar Volume: 193.2 cm3; (16) Polarizability: 24.98×10-24 cm3; (17) Surface Tension: 48.5 dyne/cm; (18) Density: 1.235 g/cm3; (19) Flash Point: 183 °C; (20) Enthalpy of Vaporization: 66.13 kJ/mol; (21) Boiling Point: 378.9 °C at 760 mmHg; (22) Vapour Pressure: 2.04E-06 mmHg at 25 °C.

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 avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C2(c1ccc(Cl)cc1)CCCCC2
(2) InChI: InChI=1/C13H15ClO2/c14-11-6-4-10(5-7-11)13(12(15)16)8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,15,16)
(3) InChIKey: UPNXUJXIIZGXLQ-UHFFFAOYAT

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