Ethyl 3-bromobutanoate

Basic Information

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CAS Number

7425-49-2

Molecular Formula

C6H11BrO2

Molecular Weight

195.06 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

Basic Physical Properties

Boiling Point

173 ℃ at 760 mmHg

SMILES

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CCOC(=O)CC(C)Br

InChI

InChI=1S/C6H11BrO2/c1-3-9-6(8)4-5(2)7/h5H,3-4H2,1-2H3

InChIKey

OPXQLUFLTHEZST-UHFFFAOYSA-N

LogP

1.7229999999999999

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

93.1

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class LACHRYMATOR Class LACHRYMATOR

Synonyms & References

English

DTXSID80883499
Butyric acid, 3-bromo-, ethyl ester
.beta.-Bromobutyric acid ethyl ester
AKOS006273487
3-BROMOBUTYRIC ACID ETHYL ESTER
FT-0636480
NSC 8856
Butanoic acid, 3-bromo-, ethyl ester
AM9919
Ethyl 3-bromobutanoate
3-bromo-butyric acid ethyl ester
SY018207
Ethyl 3-bromobutyrate
Ethyl3-bromobutyrate
EINECS 231-059-2
MFCD00039175
ethyl 3-bromo-butyrate
NSC-8856
NS00047223
beta-Bromobutyric acid ethyl ester
AS-31225
CS-0197403
7425-49-2
NSC8856
A838073
SCHEMBL328925
Ethyl 3-Bromobutyrate
Butanoic acid,3-bromo-, ethyl ester
3-Brom-buttersaeure-aethylester
3-bromobutanoic acid ethyl ester
ethyl 2-bromobutyrate

MDL Number

MFCD00039175

Customs Code

2915900090

FAQ

What regulatory guidelines apply to Ethyl 3-bromobutanoate (CAS: 7425-49-2)?

Ethyl 3-bromobutanoate (CAS: 7425-49-2) falls under the scope of various regulatory guidelines such as the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in the European Union, and FDA/EPA requirements in the United States. It is classified as a hazardous substance due to its bromine content and requires proper handling and storage to comply with these regulations.

Are there alternatives to Ethyl 3-bromobutanoate (CAS: 7425-49-2) in synthesis?

Yes, there are alternatives to Ethyl 3-bromobutanoate (CAS: 7425-49-2) in synthesis. Common alternatives include other acyl bromides or similar reagents that can be used for esterification reactions. For example, ethyl 2-bromobutanoate or ethyl 4-bromobutanoate could be considered based on the specific requirements of the synthesis process.

What is the market or research trend for Ethyl 3-bromobutanoate (CAS: 7425-49-2)?

The market for Ethyl 3-bromobutanoate (CAS: 7425-49-2) is experiencing steady growth due to its use in the pharmaceutical and agrochemical industries. Research trends are focusing on its applications in developing new drug candidates and pesticide formulations. Additionally, there is increasing interest in exploring its role in biocatalysis and advanced organic synthesis techniques.

How should waste containing Ethyl 3-bromobutanoate (CAS: 7425-49-2) be handled?

Waste containing Ethyl 3-bromobutanoate (CAS: 7425-49-2) should be handled according to local and international regulations. Proper waste collection, storage, and disposal methods should be employed. Typically, the waste should be neutralized, collected in a suitable container, and disposed of through professional waste disposal services. Environmental protection measures, such as preventing spillage and ensuring the waste does not enter water bodies, are crucial.