Methyl 4,4-difluorocyclohexanecarboxylate supplier

Name
methyl 4,4-difluorocyclohexanecarboxylate
EINECS
CAS No. 882855-71-2
Article Data2
CAS DataBase
Density 1.13 g/cm³
Solubility
Melting Point
Formula C₈H₁₂F₂O₂
Boiling Point 181.8 °C at 760 mmHg
Molecular Weight 327.328
Flash Point 62.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms cis-Methyl3-(benzyloxycarbonylamino)-5,5-difluorocyclohexanecarboxylate;Methyl 4,4-difluorocyclohexanecarboxylate;
PSA 26.30000
LogP 1.98490

Methyl 4,4-difluorocyclohexanecarboxylate Specification

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

Product Name

methyl 4,4-difluorocyclohexanecarboxylate

Methyl 4,4-difluorocyclohexanecarboxylate Specification

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