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

Basic Information

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CAS Number

33537-99-4

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

SMILES

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C1CNCC2=C1C=C(C=C2)Cl

InChI

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

InChIKey

NSURINBXOVVUNR-UHFFFAOYSA-N

LogP

1.9856999999999996

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

FT-0696810
SCHEMBL532012
CHEMBL344495
6-Chloro-1,2,3,4-tetrahydro-isoquinoline
AM20040201
6-chloro-1,2,3,4-tetrahydroisoquinoline
BCP26776
AKOS006229308
6-Chloro-1,2,3,4-tetrahydroisoquinoline, AldrichCPR
A5971
EN300-119682
SY041607
ISOQUINOLINE, 6-CHLORO-1,2,3,4-TETRAHYDRO-
NSURINBXOVVUNR-UHFFFAOYSA-N
MFCD06739156
AB28730
DTXSID90472772
J-019243
CS-W005061
DS-11102
33537-99-4
F9995-1251
6-Chloro-1,2,3,4-tetrahydroisoquinoline
6-Chloro-1,2,3,4-tetraisoquinoline
Isoquinoline, 6-chloro-1,2,3,4-tetrahydro-
ISOQUINOLINE,6-CHLORO-1,2,3,4-TETRAHYDRO

MDL Number

MFCD06739156

Customs Code

2933499090

FAQ

What are the physical and chemical properties of 6-Chloro-1,2,3,4-tetrahydroisoquinoline (CAS: 33537-99-4)?

6-Chloro-1,2,3,4-tetrahydroisoquinoline (CAS: 33537-99-4) has a crystalline form and a molecular weight of approximately 204.63 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and acetone. This compound is known for its moderate reactivity, particularly towards nucleophiles and electrophiles. It is also a basic compound, which can affect its solubility and reactivity in aqueous solutions.

How is 6-Chloro-1,2,3,4-tetrahydroisoquinoline (CAS: 33537-99-4) typically synthesized?

6-Chloro-1,2,3,4-tetrahydroisoquinoline (CAS: 33537-99-4) is typically synthesized via a multistep process involving the formation of an isoquinoline ring from a chloroarene and a secondary amine. The synthesis usually requires a catalyst, such as a Lewis acid, and involves selective substitution reactions. The overall yield is around 70-80%, and the method involves careful control of reaction conditions to achieve high product purity.

What industries use 6-Chloro-1,2,3,4-tetrahydroisoquinoline (CAS: 33537-99-4)?

6-Chloro-1,2,3,4-tetrahydroisoquinoline (CAS: 33537-99-4) is used in various industries, particularly in pharmaceuticals and agrochemicals. It serves as a precursor for synthesizing drugs and pesticides due to its biological activity. Additionally, it finds applications in the production of certain dyes and pigments. Its properties make it suitable for use in research and development of new products in these sectors.

What precautions should be taken when handling 6-Chloro-1,2,3,4-tetrahydroisoquinoline (CAS: 33537-99-4)?

When handling 6-Chloro-1,2,3,4-tetrahydroisoquinoline (CAS: 33537-99-4), it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety glasses, and a lab coat. Work should be conducted in a fume hood to minimize exposure to vapors. Spills should be cleaned up immediately using absorbent materials, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.