trans-4-(3,4-Difluorophenyl)-trans-4'-ethylbicyclohexane

Basic Information

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CAS Number

118164-50-4

Molecular Formula

C20H28F2

Molecular Weight

306.44 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

51.0 to 54.0 deg-C

Boiling Point

372°C at 760 mmHg

Flash Point

372 °C at 760 mmHg

Refractive Index

1.499

SMILES

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CCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C20H28F2/c1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-11-12-19(21)20(22)13-18/h11-17H,2-10H2,1H3/t14-,15-,16-,17-

InChIKey

WDECTZREPSJUQW-GARHLSDISA-N

LogP

6.455000000000005

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

327

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

(1R,4R)-4-(3,4-difluorophenyl)-1,1'-bi(cyclohexane)
trans-4-(3,4-Difluorophenyl)-trans-4'-ethylbicyclohexane
DS-13323
trans,trans-4-(3,4-Difluorophenyl)-4'-ethyl-bicyclohexyl
A803889
SCHEMBL3437346
CS-0153908
118164-50-4
SCHEMBL5683754
trans,trans-4'-(3,4-Difluorophenyl)-4''-Ethylbicyclohexyl
4-(3,4-Difluorophenyl)-4'-ethyl-1,1'-bi(cyclohexyl)
4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
SCHEMBL12314614
4-[trans-4-(trans-4-Ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
AKOS024462424
J-500351
SCHEMBL14400737
FT-0657688
4-[(Trans,trans)-4'-ethyl[1,1'-bicyclohexyl] -4-yl]-1,2-difluorobenzene
SCHEMBL5683749
MFCD13188635
Benzene,4-[(trans,trans)-4'-ethyl[1,1'-bicyclohexyl]-4-yl]-1,2-difluoro-
AKOS015999141
D3856
1~4~-Ethyl-3~3~,3~4~-difluoro-1~1~,1~2~,1~3~,1~4~,1~5~,1~6~,2~1~,2~2~,2~3~,2~4~,2~5~,2~6~-dodecahydro-1~1~,2~1~:2~4~,3~1~-terphenyl
DTXSID10338644
Benzene, 4-(4'-ethyl[1,1'-bicyclohexyl]-4-yl)-1,2-difluoro-
TRANS,TRANS-4-(3,4-DIFLUOROPHENYL)-4-ETHYL-BICYCLOHEXYL
WDECTZREPSJUQW-UHFFFAOYSA-N
AKOS015900564
trans,trans-4-(3,4-Difluorophenyl)-4'-ethyl-1,1'-bi(cyclohexane)

MDL Number

MFCD13188635

Customs Code

2903999090

FAQ

What regulatory guidelines apply to trans-4-(3,4-Difluorophenyl)-trans-4'-ethylbicyclohexane (CAS: 118164-50-4)?

The compound trans-4-(3,4-Difluorophenyl)-trans-4'-ethylbicyclohexane (CAS: 118164-50-4) is subject to various regulatory guidelines. Under the Globally Harmonized System (GHS), it is classified based on its health and environmental hazards. In the EU, it falls under REACH regulations, requiring registration and reporting of safety data sheets (SDS). FDA and EPA may have specific requirements for its use in pharmaceuticals and consumer products. Adequate safety measures and documentation are essential for compliance with these regulations.

Are there alternatives to trans-4-(3,4-Difluorophenyl)-trans-4'-ethylbicyclohexane (CAS: 118164-50-4) in synthesis?

There are several alternatives to trans-4-(3,4-Difluorophenyl)-trans-4'-ethylbicyclohexane (CAS: 118164-50-4) in synthesis. Common alternatives include isomers with different substituents, such as 3,4-difluorophenyl derivatives with other alkyl groups, and analogs with similar functional groups but different ring structures. These alternatives can be used based on the specific requirements of the synthesis process.

What is the market or research trend for trans-4-(3,4-Difluorophenyl)-trans-4'-ethylbicyclohexane (CAS: 118164-50-4)?

The market for trans-4-(3,4-Difluorophenyl)-trans-4'-ethylbicyclohexane (CAS: 118164-50-4) is driven by its diverse applications in pharmaceuticals and materials science. Research trends focus on its use as a building block for drug discovery and as a precursor in the development of new polymers and materials. The compound's unique properties, such as its stability and reactivity, make it a sought-after compound in these fields. Market demand is expected to grow due to increasing research interest and industry demand.

How should waste containing trans-4-(3,4-Difluorophenyl)-trans-4'-ethylbicyclohexane (CAS: 118164-50-4) be handled?

Waste containing trans-4-(3,4-Difluorophenyl)-trans-4'-ethylbicyclohexane (CAS: 118164-50-4) should be handled according to local and international regulations. Collection should be done in sealed, labeled containers to prevent spillage. Safe disposal methods include incineration with proper air pollution control or professional waste disposal services. Environmental precautions, such as ensuring no release into water bodies, must be taken. Adequate protective measures, including personal protective equipment (PPE), should be used during handling and disposal to ensure safety.