1,2,3,4-Tetrahydroisoquinoline

Basic Information

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CAS Number

91-21-4

Molecular Formula

C9H11N

Molecular Weight

133.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Liquid

Melting Point

−30 °C

Boiling Point

233°C

Density

1.064 g/mL at 25 °C

Water Solubility

Soluble in water at 20°C 20g/L.

Solubility

20g/l

Refractive Index

n20/D 1.568(lit.)

SMILES

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C1CNCC2=CC=CC=C21

InChI

InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2

InChIKey

UWYZHKAOTLEWKK-UHFFFAOYSA-N

LogP

1.3323

Topological Polar Surface Area

12.03 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

111

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

Sensitiveness

Sensitive to air

Synonyms & References

English

LS-1918
STL182848
3,4-dihydro-1 H-isoquinoline
NSC 15312
1,2,3,4-Tetrahydro-2-isoquinoline
1,2,3,4 Tetrahydroisoquinoline
BRD-K18436203-001-01-4
FT-0600443
1, 2, 3, 4-tetrahydro-isoquinoline
tetrahydro-isoquinoline
1,2,3,4-tetrahydroisochinoline
NCGC00091283-02
3,4-dihydro-1H-isoquinoline
SY001156
Tetrahydroisoquinoline
1,2,3,4- Tetrahydroisoquinoline
SCHEMBL19085
BRN 0116156
CHEMBL14346
DTXCID106115
racemic tetrahydroisoquinoline
2CK
EC 202-050-0
MFCD00006896
NCGC00091283-01
Tox21_200374
AKOS000119066
TS-01726
1,2,3,4-Tetrahydroisoquinoline
1 pound not2 pound not3 pound not4-Tetrahydro-isoquinoline
D03EPY

MDL Number

MFCD00006896

Customs Code

2933499090

FAQ

What is 1,2,3,4-Tetrahydroisoquinoline (CAS: 91-21-4)?

1,2,3,4-Tetrahydroisoquinoline (CAS: 91-21-4) is a heterocyclic organic compound with the chemical formula C9H11N. It is a colorless liquid with a characteristic aromatic odor and is commonly used as an intermediate in the synthesis of various pharmaceuticals and organic chemicals. The compound is known for its structural similarity to isoquinoline and exhibits basic properties due to the presence of the nitrogen atom.

What are the main uses of 1,2,3,4-Tetrahydroisoquinoline (CAS: 91-21-4)?

1,2,3,4-Tetrahydroisoquinoline (CAS: 91-21-4) is widely used in pharmaceutical research for the development of drugs targeting neurological and cardiovascular conditions. It also serves as a key intermediate in the production of dyes, pesticides, and other industrial chemicals. Additionally, it is utilized in synthetic organic chemistry for the preparation of various derivatives and compounds with medicinal potential.

Is 1,2,3,4-Tetrahydroisoquinoline (CAS: 91-21-4) safe?

1,2,3,4-Tetrahydroisoquinoline (CAS: 91-21-4) is considered toxic when ingested or inhaled, and it may cause skin and eye irritation. Safety data sheets recommend handling with appropriate protective equipment, such as gloves and goggles. It should be used in well-ventilated areas and in accordance with OSHA and EPA guidelines to minimize exposure risks.

How should 1,2,3,4-Tetrahydroisoquinoline (CAS: 91-21-4) be stored?

1,2,3,4-Tetrahydroisoquinoline (CAS: 91-21-4) should be stored in a cool, dry, and dark place, away from strong oxidizing agents and heat sources. It is best kept in a sealed, airtight container at a temperature below 25°C and humidity levels below 60%. Storage should ensure proper ventilation to prevent the accumulation of vapors.