5-Chlorohexanoyl chloride

Basic Information

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CAS Number

99585-01-0

Molecular Formula

C6H10Cl2O

Molecular Weight

169.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

SMILES

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CC(CCCC(=O)Cl)Cl

InChI

InChI=1S/C6H10Cl2O/c1-5(7)3-2-4-6(8)9/h5H,2-4H2,1H3

InChIKey

XOMSOSIRNGNUSH-UHFFFAOYSA-N

LogP

2.5494000000000003

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

93.1

Synonyms & References

English

5-?Chloro-hexanoyl Chloride
5-Chloro-hexanoyl Chloride
5-chloro-hexanoyl chloride
Apixaban Related Compound 4
5-chlorohexanoyl chloride
DB-090918
5-chlorohexanoylchloride
AKOS026728825
EN300-124789
5-chlorohexanoyl chloride? (Apixaban Impurity pound(c)
AS-78201
CS-0165971
F8889-6486
DTXSID801311995
99585-01-0
E82057
SCHEMBL11268628

MDL Number

MFCD20623759

FAQ

What regulatory guidelines apply to 5-Chlorohexanoyl chloride (CAS: 99585-01-0)?

5-Chlorohexanoyl chloride (CAS: 99585-01-0) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS). It is also subject to REACH regulations in the European Union, which require manufacturers and importers to register substances if they are produced or imported in quantities above 1 ton per year. In the USA, the EPA regulates this chemical under the Toxic Substances Control Act (TSCA). FDA regulations may apply if it is used in pharmaceutical or food applications.

Are there alternatives to 5-Chlorohexanoyl chloride (CAS: 99585-01-0) in synthesis?

Alternative reagents to 5-Chlorohexanoyl chloride include acetyl chloride or benzoyl chloride, which can serve similar functions in synthesis. Isomers or analogs such as 4-chlorohexanoyl chloride may also be considered based on specific chemical needs. These alternatives may offer different reactivity profiles and can be chosen based on the desired outcome of the reaction.

What is the market or research trend for 5-Chlorohexanoyl chloride (CAS: 99585-01-0)?

The market for 5-Chlorohexanoyl chloride (CAS: 99585-01-0) is driven by its use in various industries, including pharmaceuticals, pesticides, and fine chemicals. Research trends indicate a growing interest in its application as a building block for complex molecules. Market dynamics show increasing demand due to advancements in material science and drug discovery. However, regulatory pressures and environmental concerns are also influencing market trends, pushing for more sustainable alternatives.

How should waste containing 5-Chlorohexanoyl chloride (CAS: 99585-01-0) be handled?

Waste containing 5-Chlorohexanoyl chloride (CAS: 99585-01-0) should be managed according to local and national regulations. Proper waste collection and handling should follow the guidelines of the Globally Harmonized System (GHS). Incineration is a common method for disposal, but professional waste disposal services are recommended due to its hazardous nature. Environmental protection measures include the use of appropriate PPE and containment to prevent spills or leaks, ensuring safe and sustainable disposal methods are employed.