ethyl 3,3-difluorocyclobutane-1-carboxylate

Basic Information

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CAS Number

681128-38-1

Molecular Formula

C7H10F2O2

Molecular Weight

164.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Specialty Chemicals UV Stabilizers

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

155℃

Density

1.16

Flash Point

47℃

SMILES

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CCOC(=O)C1CC(C1)(F)F

InChI

InChI=1S/C7H10F2O2/c1-2-11-6(10)5-3-7(8,9)4-5/h5H,2-4H2,1H3

InChIKey

YSXYNSJJESDMJF-UHFFFAOYSA-N

LogP

1.5948000000000002

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

160

Synonyms & References

English

A855369
Ethyl 3,3-difluorocyclobutanecarboxylate
AM62615
EN300-7329352
Ethyl3,3-difluorocyclobutanecarboxylate
ethyl 3,3-difluorocyclobutane-1-carboxylate
SY271735
N10643
3,3-difluoro-1 cyclobutanecarboxylic acid ethyl ester
MFCD16660028
AB71467
CS-0071386
F1913-0426
Cyclobutanecarboxylic acid, 3,3-difluoro-, ethyl ester (9CI)
681128-38-1
DS-3753
SCHEMBL422879
Cyclobutanecarboxylic acid,3,3-difluoro-,ethyl ester(9ci)
AKOS017343315
ACETIC ACID,2-[[1-(ACETYLOXY)BUTYL]NITROSOAMINO]-, METHYL ESTER
ethyl 3,3-difluorocyclobutanecarboxylate
AMCB00034
YSXYNSJJESDMJF-UHFFFAOYSA-N
EBD2760448
AK550730
M112309
3,3-difluoro-cyclobutanecarboxylic acid ethyl ester
(3,3-difluorocyclobutane)carboxylic acid ethyl ester
CYCLOBUTANECARBOXYLIC ACID, 3,3-DIFLUORO-, ETHYL ESTER

MDL Number

MFCD16660028

FAQ

What regulatory guidelines apply to ethyl 3,3-difluorocyclobutane-1-carboxylate (CAS: 681128-38-1)?

Ethyl 3,3-difluorocyclobutane-1-carboxylate (CAS: 681128-38-1) falls under the scope of various regulatory guidelines, including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for its hazardous classification. For production and import/export purposes, it is subject to REACH regulations in the EU, which require registration and evaluation of chemicals. Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) have specific requirements for handling and reporting of this compound, including proper disposal and reporting under the Toxic Substances Control Act (TSCA).

Are there alternatives to ethyl 3,3-difluorocyclobutane-1-carboxylate in synthesis (CAS: 681128-38-1)?

In the synthesis of ethyl 3,3-difluorocyclobutane-1-carboxylate (CAS: 681128-38-1), there are several alternatives and substitutes. For example, ethyl 3,3-difluorocyclopropanecarboxylate can be used as a precursor, and other reagents like 3,3-difluorocyclobutanone can be employed as starting materials. Additionally, isomers and analogs such as ethyl 2,2-difluorocyclobutane-1-carboxylate can also be considered as alternative starting points for the synthesis process.

What is the market or research trend for ethyl 3,3-difluorocyclobutane-1-carboxylate (CAS: 681128-38-1)?

The market for ethyl 3,3-difluorocyclobutane-1-carboxylate (CAS: 681128-38-1) is currently experiencing steady growth due to its application in pharmaceuticals and agrochemicals. Research trends are focused on exploring its use in medicinal chemistry, particularly as a precursor for drug synthesis and as an intermediate in the development of novel biological agents. Emerging research also highlights the compound's potential in material science and as a building block for complex organic syntheses.

How should waste containing ethyl 3,3-difluorocyclobutane-1-carboxylate (CAS: 681128-38-1) be handled?

Waste containing ethyl 3,3-difluorocyclobutane-1-carboxylate (CAS: 681128-38-1) should be managed carefully to ensure environmental safety and compliance with regulatory requirements. Waste collection should be done in appropriate containers and labeled accordingly. The waste should be incinerated or disposed of by a professional waste disposal service that is certified for hazardous waste. Environmental protection measures, such as spill prevention and control, must be implemented to prevent contamination. Additionally, the waste should be managed in accordance with local, national, and international regulations, including the Hazardous Waste Management Regulations (HWMR).