3-Chloro-2,2-dimethyl-3-butenoic acid

Basic Information

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CAS Number

56663-75-3

Molecular Formula

C6H9ClO2

Molecular Weight

148.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Boiling Point

218 ºC

Density

1.156

Flash Point

86 ºC

SMILES

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CC(C)(C(=O)O)C(=C)Cl

InChI

InChI=1S/C6H9ClO2/c1-4(7)6(2,3)5(8)9/h1H2,2-3H3,(H,8,9)

InChIKey

VJBXJGLLUGUKGW-UHFFFAOYSA-N

LogP

1.8497

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

149

Synonyms & References

English

3-CHLORO-2,2-DIMETHYL-BUT-3-ENOIC ACID
2,2-Dimethyl-3-chloro-3-butenoic Acid
3-Butenoic acid, 3-chloro-2,2-dimethyl-
3-chloro-2,2-dimethylbut-3-enoic acid
2,2-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID HYDROCHLORIDE
2,2-Dimethyl-3-chloro-3-butensaeure
3-Chlor-2,2-dimethyl-but-3-ensaeure
3-chloranyl-2,2-dimethyl-but-3-enoic acid
3-chloro-2,2-dimethyl-3-butenoic acid
3-chloro-2,2-dimethylbut-3-enoicacid
VJBXJGLLUGUKGW-UHFFFAOYSA-N
A831139

MDL Number

MFCD03093340

FAQ

What regulatory guidelines apply to 3-Chloro-2,2-dimethyl-3-butenoic acid (CAS: 56663-75-3)?

3-Chloro-2,2-dimethyl-3-butenoic acid (CAS: 56663-75-3) is subject to various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA requirements. GHS classifies it as a toxic substance. REACH regulations may require registration and notification for industrial use. FDA and EPA may impose additional restrictions on its use and disposal in the United States.

Are there alternatives to 3-Chloro-2,2-dimethyl-3-butenoic acid (CAS: 56663-75-3) in synthesis?

Alternatives to 3-Chloro-2,2-dimethyl-3-butenoic acid (CAS: 56663-75-3) in synthesis include other halogenated acids such as 2-Chloro-3-methyl-3-butenoyl chloride and isomers with different substituents. Common alternative reagents include acetic anhydride and other carboxylic acids, which can serve similar functional group transformations but with varying reaction conditions and safety profiles.

What is the market or research trend for 3-Chloro-2,2-dimethyl-3-butenoic acid (CAS: 56663-75-3)?

The market for 3-Chloro-2,2-dimethyl-3-butenoic acid (CAS: 56663-75-3) is influenced by its use in pharmaceutical and agrochemical industries. Research trends highlight its application in developing new drugs and pesticides. Recent studies focus on its synthetic utility and environmental impact, with a growing emphasis on sustainable alternatives and safer handling practices.

How should waste containing 3-Chloro-2,2-dimethyl-3-butenoic acid (CAS: 56663-75-3) be handled?

Waste containing 3-Chloro-2,2-dimethyl-3-butenoic acid (CAS: 56663-75-3) should be collected in appropriate containers and stored in a well-ventilated area. Incineration is a common method of disposal, but professional waste disposal services are recommended. Environmental protection measures include spill containment, proper labeling, and adherence to local and national waste management regulations to minimize environmental impact.