4-(trans-4-((E)-Prop-1-en-1-yl)cyclohexyl)benzonitrile

Basic Information

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CAS Number

96184-40-6

Molecular Formula

C16H19N

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

66°C

Boiling Point

350.0±41.0°C at 760 mmHg

Density

1.00

SMILES

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CC=CC1CCC(CC1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H19N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h2-3,6-7,10-11,13,15H,4-5,8-9H2,1H3/b3-2+/t13-,15-

InChIKey

WFVBLRKVRNUULX-AXEKWBSNSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

293

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

Benzonitrile,4-[trans-4-(1E)-1-propen-1-ylcyclohexyl]-
4-[trans-4-[(E)-1-Propenyl]cyclohexyl]benzonitrile
4-(trans-4-((E)-Prop-1-en-1-yl)cyclohexyl)benzonitrile
4-[4-[1-(E)-PROPENYL]CYCLOHEXYL]-, TRANS-BENZONITRILE
4-(bis(2-chloroethyl)amino)phenylalanine
4-[Bis-(2-chlor-aethyl)-amino]-DL-phenylalanin
4-[bis-(2-chloro-ethyl)-amino]-DL-phenylalanine
D-Sarcolysin
D-Sarcolysine
Medfalan
Mephalan
Merfalan
Merphalan
p-[bis-(2-chloroethyl)-amino]-DL-phenylalanine
p-[trans-4-(1E-Propenyl)cyclohexyl]benzonitrile
Sarcoclorin
Sarcolysin
Sarcolysine
Sarkolysin
1-Cyano-4-[trans-4-[(E)-1-propenyl]cyclohexyl]benzene
RO-CM-4413
TRANS-4-[4-[1-(E)-PROPENYL]CYCLOHEXYL]BENZONITRILE
4-[trans-4-(1E)-1-propenylcyclohexyl]Benzonitrile
4-[4-(1-Propenyl)cyclohexyl]benzonitrile
P2378
4-[(1alpha)-4beta
4-[trans-4-(1E)-1-Propen-1-ylcyclohexyl]benzonitrile (ACI)
Benzonitrile, 4-[4-(1-propenyl)cyclohexyl]-, [1α,4β(E)]- (ZCI)
Benzonitrile, 4-[trans-4-(1E)-1-propenylcyclohexyl]- (9CI)
4-[trans-4-(trans-1-Propenyl)cyclohexyl]-1-cyanobenzene
SCHEMBL6459331

MDL Number

MFCD24849961

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 4-(trans-4-((E)-Prop-1-en-1-yl)cyclohexyl)benzonitrile (CAS: 96184-40-6)?

4-(trans-4-((E)-Prop-1-en-1-yl)cyclohexyl)benzonitrile has a crystalline form with a molecular weight of approximately 254.24 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. The compound demonstrates moderate reactivity in organic synthesis due to the presence of nitrile and alkene functional groups.

How is 4-(trans-4-((E)-Prop-1-en-1-yl)cyclohexyl)benzonitrile (CAS: 96184-40-6) typically synthesized?

4-(trans-4-((E)-Prop-1-en-1-yl)cyclohexyl)benzonitrile can be synthesized via a multistep reaction involving the alkylation of an aromatic nitrile with an allylating agent. Commonly, an allyl halide is used as the reagent, and a base like sodium hydride is employed to facilitate the reaction. The product shows good yield and selectivity under these conditions.

What industries use 4-(trans-4-((E)-Prop-1-en-1-yl)cyclohexyl)benzonitrile (CAS: 96184-40-6)?

4-(trans-4-((E)-Prop-1-en-1-yl)cyclohexyl)benzonitrile finds applications in the pharmaceutical industry for its use as a precursor in drug synthesis. It also plays a role in the production of sensors and semiconductors due to its specific chemical functionality and reactivity.

What precautions should be taken when handling 4-(trans-4-((E)-Prop-1-en-1-yl)cyclohexyl)benzonitrile (CAS: 96184-40-6)?

When handling 4-(trans-4-((E)-Prop-1-en-1-yl)cyclohexyl)benzonitrile, it is important to use personal protective equipment (PPE) including gloves and goggles. The compound should be stored in a well-ventilated area, and fume hoods should be used during laboratory operations. In case of spill, immediately neutralize with an appropriate reagent and clean up according to standard safety protocols. Always refer to the Safety Data Sheet (SDS) for detailed safety information.