5-Chloro-1,2,3,4-tetrahydroisoquinoline

Basic Information

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CAS Number

73075-43-1

Molecular Formula

C9H10ClN

Molecular Weight

167.64 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

Boiling Point

276 ºC

Density

1.162

Flash Point

121 ºC

SMILES

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C1CNCC2=C1C(=CC=C2)Cl

InChI

InChI=1S/C9H10ClN/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-3,11H,4-6H2

InChIKey

OHOZWCJUZQXMAW-UHFFFAOYSA-N

LogP

1.9856999999999998

Topological Polar Surface Area

12.03 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

138

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Synonyms & References

English

J-517234
ISOQUINOLINE, 5-CHLORO-1,2,3,4-TETRAHYDRO-
A837707
EN300-83161
CHEMBL148969
5-chloro-1,2,3,4-tetrahydroisoquinoline;5-CHLORO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
5-Chloro-1,2,3,4-tetrahydroisoquinoline
AKOS009279184
AB45748
AS-30610
MFCD08544277
OHOZWCJUZQXMAW-UHFFFAOYSA-N
5-Chloro-1,2,3,4-tetrahydro-isoquinoline
SCHEMBL2750868
Z368591478
73075-43-1
FT-0709402
CS-0137830
DTXSID70503775
Isoquinoline, 5-chloro-1,2,3,4-tetrahydro-
5-chloro-1,2,3,4-tetrahydro-isoquinoline
5-Chloro-1,2,3,4-tetrahydro-isoquinoline 1HCl salt

MDL Number

MFCD08544277

Customs Code

2933499090

FAQ

What are the physical and chemical properties of 5-Chloro-1,2,3,4-tetrahydroisoquinoline (CAS: 73075-43-1)?

5-Chloro-1,2,3,4-tetrahydroisoquinoline is a yellow crystalline solid with a molecular weight of approximately 205.59 g/mol. It has a solubility of about 10 mg/mL in water and is more soluble in organic solvents like methanol and ethanol. This compound is relatively stable under normal conditions but can react with strong oxidizing agents. It is used in synthesis and as a building block in medicinal chemistry.

How is 5-Chloro-1,2,3,4-tetrahydroisoquinoline (CAS: 73075-43-1) typically synthesized?

5-Chloro-1,2,3,4-tetrahydroisoquinoline is usually synthesized via the reduction of 5-chloroisoquinoline followed by hydrogenation. The reaction typically involves palladium catalysts and requires conditions such as formic acid or hydrogen gas under pressure. The overall yield is moderate, and the method is selective for the desired product.

What industries use 5-Chloro-1,2,3,4-tetrahydroisoquinoline (CAS: 73075-43-1)?

5-Chloro-1,2,3,4-tetrahydroisoquinoline is primarily used in the pharmaceutical industry as a precursor for the synthesis of various drugs. It also has applications in polymer synthesis and as a component in certain sensor technologies due to its unique chemical structure and reactivity.

What precautions should be taken when handling 5-Chloro-1,2,3,4-tetrahydroisoquinoline (CAS: 73075-43-1)?

When handling 5-Chloro-1,2,3,4-tetrahydroisoquinoline, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and laboratory coats. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.