4'-Ethyl-4-biphenylcarbonitrile

Basic Information

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CAS Number

58743-75-2

Molecular Formula

C15H13N

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

75.0 to 79.0 deg-C

Boiling Point

205°C/3mmHg

Density

1.0700

Flash Point

202-205°C/3mm

SMILES

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CCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H13N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h3-10H,2H2,1H3

InChIKey

DLLIPJSMDJCZRF-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

246

Safety Information

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GHS Hazard Pictograms

H331

H302

H312

H315

H319

H335

Hazard Statement

H331 Toxic if inhaled
Acute toxicity, inhalation

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

[1,1'-Biphenyl]-4-carbonitrile, 4'-ethyl-
CS-W015262
4'-Ethyl-[1,1'-biphenyl]-4-carbonitrile
C2892
SCHEMBL4651866
A24014
EINECS 261-414-7
DTXSID2069284
4'-Ethyl[1,1'-biphenyl]-4-carbonitrile #
4-ethyl-4'-cyanobiphenyl
4-Cyano-4'-ethylbiphenyl
J-515280
FT-0618288
58743-75-2
4'-Ethyl-4-biphenylcarbonitrile
4-(4-ethylphenyl)benzonitrile
4'-Ethyl(1,1'-biphenyl)-4-carbonitrile
4-Cyano-4 inverted exclamation marka-ethylbiphenyl
(1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl-
MFCD00799420
AS-63973
AMY25182
AKOS015842827
NS00034008
4-Cyano-4`-EthylBiphenyl
4'-ethylbiphenyl-4-carbonitrile
4-Cyano-4-ethylbiphenyl
4-Ethyl-4?cyanobiphenyl
4-Ethyl-4-Cyanobiphenyl
2CB
4-Ethyl-4’-cyanobiphenyl

MDL Number

MFCD00799420

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 4'-Ethyl-4-biphenylcarbonitrile (CAS: 58743-75-2)?

4'-Ethyl-4-biphenylcarbonitrile (CAS: 58743-75-2) is a colorless solid with a molecular weight of approximately 235.23 g/mol. It has a melting point of 52-54°C and is slightly soluble in water. It is highly reactive towards nucleophiles and is known for its electrophilic aromatic substitution properties.

How is 4'-Ethyl-4-biphenylcarbonitrile (CAS: 58743-75-2) typically synthesized?

4'-Ethyl-4-biphenylcarbonitrile is typically synthesized via nucleophilic aromatic substitution. The reaction usually involves the reaction of 4-ethoxybiphenyl with phosgene in the presence of a catalyst such as potassium carbonate. The process can yield up to 90% of the compound with good selectivity.

What industries use 4'-Ethyl-4-biphenylcarbonitrile (CAS: 58743-75-2)?

4'-Ethyl-4-biphenylcarbonitrile (CAS: 58743-75-2) finds applications in pharmaceuticals, where it is used as an intermediate in the synthesis of drugs, and in the electronics industry, where it is used in the production of semiconductors and sensors.

What precautions should be taken when handling 4'-Ethyl-4-biphenylcarbonitrile (CAS: 58743-75-2)?

When handling 4'-Ethyl-4-biphenylcarbonitrile (CAS: 58743-75-2), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a fume hood to minimize exposure. Spills should be cleaned up with appropriate absorbent material and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed safety information.