2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-7-isoquinolinesulfonyl chloride

Basic Information

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CAS Number

74291-57-9

Molecular Formula

C11H9ClF3NO3S

Molecular Weight

327.71 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

102-104°C

Boiling Point

465.6°C at 760 mmHg

SMILES

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C1CN(CC2=C1C=CC(=C2)S(=O)(=O)Cl)C(=O)C(F)(F)F

InChI

InChI=1S/C11H9ClF3NO3S/c12-20(18,19)9-2-1-7-3-4-16(6-8(7)5-9)10(17)11(13,14)15/h1-2,5H,3-4,6H2

InChIKey

SXIYEBVAQTUBOQ-UHFFFAOYSA-N

LogP

2.0611

Topological Polar Surface Area

54.45 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

488

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

1,2,3,4-TETRAHYDRO-2-(TRIFLUOROACETYL)ISOQUINOLINE-7-SULFONYL CHLORIDE
1,2,3,4-TETRAHYDRO-2-(TRIFLUOROACETYL)ISOQUINOLINE-7-SULFONYLCHLORIDE
2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl chloride
2-(2,2,2-trifluoroacetyl)-1,2,3,4-tetrahydro-isoquinoline-7-sulfonyl chloride
DTXSID70462454
MFCD01075651
74291-57-9
7-chlorosulfonyl-2-trifluoroacetyl-1,2,3,4-tetrahydroisoquinoline
C11H9ClF3NO3S
FT-0606189
2-Trifluoroacetyl-1,2,3,4-tetrahydroisoquinoline-7-sulphonyl chloride
AS-36371
A865922
2-trifluoroacetyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl chloride
BP-11333
2-(2,2,2-Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl chloride
EN300-231900
CS-0157265
1,2,3,4-tetrahydro-2-(trifluoroacetyl) isoquinoline-7-sulfonyl chloride
2-trifluoroacetyl-1,2,3,4-tetrahydro-isoquinoline-7-sulfonyl chloride
2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-7-isoquinolinesulfonyl chloride, AldrichCPR
2-(2,2,2-trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonylchloride
SCHEMBL490066
2-(2,2,2-trifluoro-acetyl)-1,2,3,4-tetrahydro-isoquinoline-7-sulfonyl chloride
AKOS005168311
-2-(2,2,2-Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl chloride
2-trifluoroacetyl-7-chlorosulfonyl-1,2,3,4-tetrahydroisoquinoline
1,2,3,4-Tetrahydro-2-(trifluoroacetyl)isoquinoline -7-sulfonyl chloride
2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonyl Chloride
1,2,3,4-Tetrahydro-2-(trifluoroacetyl)isoquinoline-7-sulfonyl Chloride
1,2,3,4-Tetrahydro-2

MDL Number

MFCD01075651

Customs Code

2933499090

FAQ

What regulatory guidelines apply to 2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-7-isoquinolinesulfonyl chloride (CAS: 74291-57-9)?

Regulatory guidelines for 2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-7-isoquinolinesulfonyl chloride (CAS: 74291-57-9) include GHS classification, which categorizes it as a moderately hazardous substance. It is also subject to REACH regulations for registration, evaluation, authorization, and restriction of chemicals. FDA and EPA have specific guidelines for its handling and use in the United States, including proper labeling, storage, and disposal methods to minimize environmental impact.

Are there alternatives to 2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-7-isoquinolinesulfonyl chloride (CAS: 74291-57-9) in synthesis?

Yes, there are alternatives to 2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-7-isoquinolinesulfonyl chloride (CAS: 74291-57-9) in synthesis, such as using related isoquinoline derivatives or other sulfur-containing compounds. Common alternative reagents include trifluoroacetic anhydride and other acetylating agents that can provide similar functional groups. However, the choice of alternative depends on the specific application and desired properties.

What is the market or research trend for 2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-7-isoquinolinesulfonyl chloride (CAS: 74291-57-9)?

The market for 2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-7-isoquinolinesulfonyl chloride (CAS: 74291-57-9) is driven by its use in pharmaceuticals and research, particularly in the development of novel drugs and synthetic intermediates. Research trends focus on its potential as a building block for drug discovery and its application in medicinal chemistry. Market demand is influenced by pharmaceutical industry growth and the need for innovative chemical reagents.

How should waste containing 2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-7-isoquinolinesulfonyl chloride (CAS: 74291-57-9) be handled?

Waste containing 2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-7-isoquinolinesulfonyl chloride (CAS: 74291-57-9) should be collected in a suitable container, labeled appropriately, and stored in a well-ventilated area. For safe disposal, it should be incinerated or treated by a professional waste disposal service. Environmental precautions include avoiding contact with water and ensuring proper ventilation to prevent inhalation of harmful vapors. Compliance with local and national regulations is essential.