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Aceticacid, 2-chloro-, 4-cyclohexylphenyl ester

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Name

Aceticacid, 2-chloro-, 4-cyclohexylphenyl ester

EINECS N/A
CAS No. 6299-68-9 Density 1.15 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C14H17ClO2 Boiling Point 352 °C at 760 mmHg
Molecular Weight 252.74 Flash Point 175.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6299-68-9 (4-cyclohexylphenyl chloroacetate) Hazard Symbols N/A
Synonyms

NSC 44878;NSC 8387;4-Cyclohexylphenyl chloroacetate;AC1L5BSM;AC1Q3TQM;AR-1G2054;CID222458;(4-Cyclohexylphenyl) 2-chloroacetate;

 

Aceticacid, 2-chloro-, 4-cyclohexylphenyl ester Specification

The Aceticacid, 2-chloro-, 4-cyclohexylphenyl ester with CAS registry number of 6299-68-9 is also known as 4-Cyclohexylphenyl chloroacetate. The IUPAC name is (4-Cyclohexylphenyl) 2-chloroacetate. In addition, the formula is C14H17ClO2 and the molecular weight is 252.74.

Physical properties about Aceticacid, 2-chloro-, 4-cyclohexylphenyl ester are: (1)ACD/LogP: 4.31; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3Å2; (7)Index of Refraction: 1.534; (8)Molar Refractivity: 68.3 cm3; (9)Molar Volume: 219.6 cm3; (10)Polarizability: 27.07×10-24cm3; (11)Surface Tension: 40.3 dyne/cm; (12)Density: 1.15 g/cm3; (13)Flash Point: 175.8 °C; (14)Enthalpy of Vaporization: 59.68 kJ/mol; (15)Boiling Point: 352 °C at 760 mmHg; (16)Vapour Pressure: 3.95E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: ClCC(=O)Oc1ccc(cc1)C2CCCCC2
2. InChI: InChI=1/C14H17ClO2/c15-10-14(16)17-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2
3. InChIKey: PUTRXHLLQUSSBS-UHFFFAOYAJ
4. Std. InChI: InChI=1S/C14H17ClO2/c15-10-14(16)17-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2
5. Std. InChIKey: PUTRXHLLQUSSBS-UHFFFAOYSA-N

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