Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 4,4-difluorocyclohexanecarboxylate |
EINECS | N/A |
CAS No. | 882855-71-2 | Density | 1.13 g/cm3 |
PSA | 26.30000 | LogP | 1.98490 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H12F2O2 | Boiling Point | 181.8 °C at 760 mmHg |
Molecular Weight | 327.328 | Flash Point | 62.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
cis-Methyl3-(benzyloxycarbonylamino)-5,5-difluorocyclohexanecarboxylate;Methyl 4,4-difluorocyclohexanecarboxylate; |
Article Data | 2 |
The Methyl 4,4-difluorocyclohexanecarboxylate with the CAS number 882855-71-2 is also called Cyclohexanecarboxylicacid, 3,3-difluoro-5-[[(phenylmethoxy)carbonyl]amino]-, methyl ester,(1R,5S)-rel-. Its molecular formula is C8H12F2O2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 5.95; (6)ACD/BCF (pH 7.4): 5.95; (7)ACD/KOC (pH 5.5): 124.68; (8)ACD/KOC (pH 7.4): 124.68; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.411; (14)Molar Refractivity: 39.12 cm3; (15)Molar Volume: 157.2 cm3; (16)Polarizability: 15.5 ×10-24cm3; (17)Surface Tension: 27.1 dyne/cm; (18)Enthalpy of Vaporization: 41.81 kJ/mol; (19)Vapour Pressure: 0.836 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC1(F)CCC(CC1)C(=O)OC
(2)InChI: InChI=1/C8H12F2O2/c1-12-7(11)6-2-4-8(9,10)5-3-6/h6H,2-5H2,1H3
(3)InChIKey: XHYGYNWRARNCHL-UHFFFAOYAV