1-Phenylisoquinoline

Basic Information

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CAS Number

3297-72-1

Molecular Formula

C15H11N

Molecular Weight

205.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

94.0 to 98.0 deg-C

Boiling Point

130°C/10mmHg

Flash Point

152.2°C

Refractive Index

1.6550 (estimate)

Vapor Pressure

0.0±0.7 mmHg at 25°C

SMILES

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C1=CC=C(C=C1)C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C15H11N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-11H

InChIKey

LPCWDYWZIWDTCV-UHFFFAOYSA-N

LogP

3.9018000000000024

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

220

Safety Information

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GHS Hazard Pictograms

H302

H315

H318

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

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

Synonyms & References

English

1-Phenyl-isoquinoline
A846141
P1731
HMS2795J11
AKOS015899660
AC-9331
MLS001178436
1-phenylisochinolin
AC-907/25014325
AS-57342
CS-W015371
Isoquinoline, 1-phenyl-
1-Phenylisoquinoline, 97%
SY055308
MFCD00093934
3297-72-1
SCHEMBL50715
FT-0767932
SMR000475749
SB66887
DTXSID20186613
CHEMBL1719440
phenylisoquinoline
1-Phenylisoquinoline
Phenylisoquinoline
1-Phenyl-isochinolin
1-phenyl-isoquinoline
2-phenylisoquinoline

MDL Number

MFCD00093934

Customs Code

2933499090

FAQ

What are the physical and chemical properties of 1-Phenylisoquinoline (CAS: 3297-72-1)?

1-Phenylisoquinoline (CAS: 3297-72-1) is a solid with a crystalline form. It has a molecular weight of approximately 152.21 g/mol. This compound is slightly soluble in water but soluble in organic solvents like ethanol and acetone. It is less reactive under normal conditions but can undergo substitution reactions. At higher temperatures or in the presence of strong bases, it may decompose.

How is 1-Phenylisoquinoline (CAS: 3297-72-1) typically synthesized?

1-Phenylisoquinoline (CAS: 3297-72-1) is usually synthesized via a multi-step process involving the transformation of 1-phenylisoquinoline-3-carboxylic acid to the corresponding aldehyde, followed by reduction to the alcohol. This reaction often uses palladium catalysts and can achieve high selectivity and yield under optimized conditions.

What industries use 1-Phenylisoquinoline (CAS: 3297-72-1)?

1-Phenylisoquinoline (CAS: 3297-72-1) is primarily used in the pharmaceutical industry for the synthesis of certain bioactive compounds. It also finds applications in the organic synthesis of natural products and as a precursor in the preparation of functional materials, such as polymers and sensors.

What precautions should be taken when handling 1-Phenylisoquinoline (CAS: 3297-72-1)?

When handling 1-Phenylisoquinoline (CAS: 3297-72-1), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up with appropriate absorbents and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed information on safe handling practices.