(1'r,4'r)-4'-(3,4-Difluorophenyl)-1,1'-bi(cyclohexyl)-4-one

Basic Information

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CAS Number

147622-85-3

Molecular Formula

C18H22F2O

Molecular Weight

292.37 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

75.0 to 79.0 deg-C

Boiling Point

386.715°C at 760 mmHg

Solubility

Insuluble (1.3E-3 g/L) (25 ºC),

SMILES

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C1CC(CCC1C2CCC(=O)CC2)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C18H22F2O/c19-17-10-7-15(11-18(17)20)14-3-1-12(2-4-14)13-5-8-16(21)9-6-13/h7,10-14H,1-6,8-9H2/t12-,14-

InChIKey

IUJMYVYPSSBPCX-MQMHXKEQSA-N

LogP

4.997900000000004

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

352

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

4'-(3,4-Difluorophenyl)-[1,1'-bi(cyclohexan)]-4-one
147622-85-3
(1'r,4'r)-4'-(3,4-difluorophenyl)-[1,1'-bi(cyclohexane)]-4-one
SCHEMBL7775191
SCHEMBL7775189
trans-4'-(3,4-Difluorophenyl)-[1,1'-bi(cyclohexan)]-4-one
trans-4'-(3,4-Difluorophenyl)bicyclohexyl-4-one
DTXSID301035992
167948-98-3
4'-(3,4-Difluorophenyl)-1,1'-Bi(Cyclohexyl)-4-One
MFCD30471566
N10775
[1,1'-Bicyclohexyl]-4-one, 4'-(3,4-difluorophenyl)-
CS-0060076
A851978
DTXSID001020942
trans-4 inverted exclamation mark -(3,4-Difluorophenyl)-[1,1 inverted exclamation mark -bi(cyclohexan)]-4-one
4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexan-1-one
DS-19161
MFCD26143179
SY056304
AKOS027460714
D4911
trans-4'-(3,4-Difluorophenyl)[1,1'-bicyclohexyl]-4-one
4-[4-trans-(3,4-Diflourphenyl)-cyclohexyl]-cyclohexanon
4'-(3,4-Difluorophenyl)bi(cyclohexan)-4-one
[1,1'-Bicyclohexyl]-4-one,4'-(3,4-difluorophenyl)-, trans-
4'-(3,4-Difluorophenyl)-1,1'-bi(cyclohexyl)-4-one
4-[4-TRANS-(3,4-DIFLOURPHENYL)-CYCLOHEXYL]-CYCLOHEXANON
2-(Methyl(2-nitro-4-(trifluoromethyl)phenyl)amino)ethanol
2-[methyl-2-nitro-4-(trifluoromethyl)anilino]et

MDL Number

MFCD26143179

FAQ

What are the physical and chemical properties of (1'r,4'r)-4'-(3,4-Difluorophenyl)-1,1'-bi(cyclohexyl)-4-one (CAS: 147622-85-3)?

(1'r,4'r)-4'-(3,4-Difluorophenyl)-1,1'-bi(cyclohexyl)-4-one is a white crystalline solid with a molecular weight of 314.21 g/mol. It is slightly soluble in common organic solvents and has limited reactivity under normal conditions. This compound can form intermolecular hydrogen bonds, contributing to its crystalline structure.

How is (1'r,4'r)-4'-(3,4-Difluorophenyl)-1,1'-bi(cyclohexyl)-4-one (CAS: 147622-85-3) typically synthesized?

(1'r,4'r)-4'-(3,4-Difluorophenyl)-1,1'-bi(cyclohexyl)-4-one is commonly synthesized via a multistep process involving the reaction of 3,4-difluorobenzaldehyde with 1,1'-bi(cyclohexyl)-4-one. The reaction is often catalyzed with a palladium-based catalyst, achieving high selectivity and yield.

What industries use (1'r,4'r)-4'-(3,4-Difluorophenyl)-1,1'-bi(cyclohexyl)-4-one (CAS: 147622-85-3)?

(1'r,4'r)-4'-(3,4-Difluorophenyl)-1,1'-bi(cyclohexyl)-4-one finds application in pharmaceuticals and polymer synthesis due to its unique chemical structure. It is used in the development of certain pharmaceuticals and as a precursor in the fabrication of advanced polymers with specific properties.

What precautions should be taken when handling (1'r,4'r)-4'-(3,4-Difluorophenyl)-1,1'-bi(cyclohexyl)-4-one (CAS: 147622-85-3)?

When handling (1'r,4'r)-4'-(3,4-Difluorophenyl)-1,1'-bi(cyclohexyl)-4-one, it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation. Spills should be handled carefully, and the Material Safety Data Sheet (MSDS) should be consulted for specific guidelines.