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

Basic Information

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CAS Number

81237-69-6

Molecular Formula

C9H10BrN

Molecular Weight

212.09 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

Boiling Point

294.3°C at 760 mmHg

SMILES

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C1CNCC2=C1C(=CC=C2)Br

InChI

InChI=1S/C9H10BrN/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-3,11H,4-6H2

InChIKey

IZCCDTQAIOPIGY-UHFFFAOYSA-N

LogP

2.0947999999999993

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

IZCCDTQAIOPIGY-UHFFFAOYSA-N
5-bromo-1,2,3,4-tetrahydroisoquinoline
SCHEMBL1010522
FS-3398
AMY5078
FT-0742282
SY021156
A26322
3-(4-tert-Butylphenyl)-3-oxo-propionicacidethylester
EN300-61677
AKOS005265045
A1-00673
ISOQUINOLINE, 5-BROMO-1,2,3,4-TETRAHYDRO-
Z368591556
81237-69-6
MFCD08544279
CS-D0886
DTXSID80510738
J-516772
5-Bromo-1 pound not2 pound not3 pound not4-tetrahydroisoquinoline
5-Bromo-1,2,3,4-tetrahydro-isoquinoline
PB22176
5-Bromo-1,2,3,4-tetrahydroisoquinoline
5-Bromo-1,2,3,4-tetrahdyroisoquinoline
5-BROMO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
5-BROMO-1,2,3,4-TETRAHYDROISOQUINOLINE HCL
5-BROMO-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE
Isoquinoline, 5-bromo-1,2,3,4-tetrahydro-

MDL Number

MFCD08544279

FAQ

What is 5-Bromo-1,2,3,4-tetrahydroisoquinoline (CAS: 81237-69-6)?

5-Bromo-1,2,3,4-tetrahydroisoquinoline is an isoquinoline derivative with a 5-bromo substitution. It has the chemical formula C9H9BrNO and is characterized by its aromatic and heterocyclic structure. This compound is used in pharmaceutical research, particularly in the development of potential analgesic and anticonvulsant drugs.

What are the main uses of 5-Bromo-1,2,3,4-tetrahydroisoquinoline (CAS: 81237-69-6)?

5-Bromo-1,2,3,4-tetrahydroisoquinoline is primarily used in pharmaceutical research, including the development of analgesic and anticonvulsant drugs. It is also utilized in organic synthesis as a precursor for further chemical modifications and in academic research to study biological activities and molecular interactions.

Is 5-Bromo-1,2,3,4-tetrahydroisoquinoline (CAS: 81237-69-6) safe?

5-Bromo-1,2,3,4-tetrahydroisoquinoline is considered safe for laboratory use when handled with appropriate precautions. However, it should be stored in a cool, dry place away from direct sunlight and flammable materials. Personal protective equipment, such as gloves and goggles, should be worn during handling to prevent skin and eye contact. Ensure good ventilation in the workspace and follow all local safety guidelines.

How should 5-Bromo-1,2,3,4-tetrahydroisoquinoline (CAS: 81237-69-6) be stored?

5-Bromo-1,2,3,4-tetrahydroisoquinoline should be stored in a tightly sealed container in a cool, dry place away from direct sunlight and heat sources. It should be kept at a temperature below 25°C and away from flammable materials. Optimal storage conditions include a relative humidity of less than 60% to prevent degradation and ensure the compound remains stable for research purposes.