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Cyclohexanecarboxylicacid, 1-(2-chloro-4-fluorophenyl)-

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Name

Cyclohexanecarboxylicacid, 1-(2-chloro-4-fluorophenyl)-

EINECS N/A
CAS No. 214263-02-2 Density 1.299 g/cm3
PSA 37.30000 LogP 3.76560
Solubility N/A Melting Point N/A
Formula C13H14ClFO2 Boiling Point 376.5 °C at 760 mmHg
Molecular Weight 256.704 Flash Point 181.5 °C
Transport Information N/A Appearance Off-white to light brownish powder
Safety 37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 214263-02-2 (1-(2-CHLORO-4-FLUOROPHENYL)CYCLOHEXANECARBOXYLIC ACID) Hazard Symbols IrritantXi
Synonyms

1-(2-Chloro-4-fluorophenyl)cyclohexanecarboxylic acid;

 

Cyclohexanecarboxylicacid, 1-(2-chloro-4-fluorophenyl)- Specification

The Cyclohexanecarboxylicacid, 1-(2-chloro-4-fluorophenyl)- has the CAS registry number of 214263-02-2. This chemical's molecular formula is C13H14ClFO2 and molecular weight is 256.7. What's more, its systematic name is 1-(2-Chloro-4-fluorophenyl)cyclohexanecarboxylic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Cyclohexanecarboxylicacid, 1-(2-chloro-4-fluorophenyl)- are: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 0.2; (5)ACD/BCF (pH 5.5): 7.34; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 53.47; (8)ACD/KOC (pH 7.4): 1.01; (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: 1.551; (14)Molar Refractivity: 63.01 cm3; (15)Molar Volume: 197.4 cm3; (16)Polarizability: 24.98×10-24 cm3; (17)Surface Tension: 47.1 dyne/cm; (18)Density: 1.299 g/cm3; (19)Flash Point: 181.5 °C; (20)Enthalpy of Vaporization: 65.84 kJ/mol; (21)Boiling Point: 376.5 °C at 760 mmHg; (22)Vapour Pressure: 2.44E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following data into molecular structure:
(1) SMILES: O=C(O)C2(c1ccc(F)cc1Cl)CCCCC2
(2) InChI: InChI=1/C13H14ClFO2/c14-11-8-9(15)4-5-10(11)13(12(16)17)6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,16,17)
(3) InChIKey: LASDSPQVVMYXNX-UHFFFAOYAJ

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