(1S,4S)-2,5-Diphenylbicyclo[2.2.2]octa-2,5-diene

Basic Information

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CAS Number

850409-83-5

Molecular Formula

C20H18

Molecular Weight

258.36 g/mol

Chemical Classification

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

69-76 °C

SMILES

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[H][C@@]1(CC2)C(C3=CC=CC=C3)=C[C@@]2([H])C(C4=CC=CC=C4)=C1

InChI

InChI=1S/C20H18/c1-3-7-15(8-4-1)19-13-18-12-11-17(19)14-20(18)16-9-5-2-6-10-16/h1-10,13-14,17-18H,11-12H2/t17-,18-/m0/s1

InChIKey

BDYBOFJAEBJDMI-ROUUACIJSA-N

LogP

5.193400000000004

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Synonyms & References

English

(1S,4S)-2,5-Diphenylbicyclo[2.2.2]octa-2,5-diene
(1S,4S)-2,5-DIPHENYLBICYCLO[2.2.2]OCTADIENE

MDL Number

MFCD15143645

FAQ

What is (1S,4S)-2,5-Diphenylbicyclo[2.2.2]octa-2,5-diene (CAS: 850409-83-5)?

(1S,4S)-2,5-Diphenylbicyclo[2.2.2]octa-2,5-diene is an organic compound with the CAS number 850409-83-5. It is a bicyclic hydrocarbon with two phenyl groups attached to a central octadiene ring system. This compound is primarily used in pharmaceuticals and research applications for its structural properties and potential biological activities.

What are the main uses of (1S,4S)-2,5-Diphenylbicyclo[2.2.2]octa-2,5-diene (CAS: 850409-83-5)?

(1S,4S)-2,5-Diphenylbicyclo[2.2.2]octa-2,5-diene (CAS: 850409-83-5) is mainly used in pharmaceutical and research applications. It serves as a building block for synthesizing more complex molecules and has potential as a drug candidate due to its unique structural features.

Is (1S,4S)-2,5-Diphenylbicyclo[2.2.2]octa-2,5-diene (CAS: 850409-83-5) safe?

(1S,4S)-2,5-Diphenylbicyclo[2.2.2]octa-2,5-diene (CAS: 850409-83-5) is generally safe when handled with appropriate precautions. It is important to follow safety guidelines, including the use of appropriate personal protective equipment (PPE) and proper ventilation. Storage and handling should be conducted in a well-ventilated area away from heat and ignition sources.

How should (1S,4S)-2,5-Diphenylbicyclo[2.2.2]octa-2,5-diene (CAS: 850409-83-5) be stored?

(1S,4S)-2,5-Diphenylbicyclo[2.2.2]octa-2,5-diene (CAS: 850409-83-5) should be stored in a cool, dry place away from heat and direct sunlight. It should be kept in a sealed container to prevent degradation. The storage area must be well-ventilated and free from any ignition sources. It is recommended to store the compound at a temperature below 25°C and with a relative humidity below 60%.