Ethyl 2-bromoheptanoate

Basic Information

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CAS Number

5333-88-0

Molecular Formula

C9H17BrO2

Molecular Weight

237.14 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

109 °C10 mm Hg

Flash Point

220 °F

Refractive Index

n20/D 1.452(lit.)

SMILES

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CCCCCC(C(=O)OCC)Br

InChI

InChI=1S/C9H17BrO2/c1-3-5-6-7-8(10)9(11)12-4-2/h8H,3-7H2,1-2H3

InChIKey

GNCLPIAYAPQPOU-UHFFFAOYSA-N

LogP

2.8933000000000018

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

126

Safety Information

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Hazard Class

Class 8 Class 8

Synonyms & References

English

2-BROMOHEPTANOIC ACID, ETHYL ESTER
ethyl 2bromoheptanoate
ethyl-2-bromoheptanoate
2-bromo-heptanoic acid ethyl ester
Ethyl 2-bromoheptanoate #
NSC-2356
EINECS 226-249-7
DTXSID301285876
Heptanoic acid, 2-bromo-, ethyl ester
4-(4-Acetyl-1-piperazinyl)-3-amino-benzoic?acid?methyl?ester
NSC 2356
Ethyl .alpha.-bromoheptanoate
5333-88-0
2-bromoheptanoic acid ethyl ester
FT-0635628
Ethyl alpha-bromoheptanoate
NS00044690
Ethyl 2-bromoheptanoate
SCHEMBL1566554
NSC2356
AI3-37648
ETHYL 2-BROMOHEPTANATE
Heptanoic acid,2-bromo-,ethyl ester

MDL Number

MFCD00000163

Customs Code

2915900090

FAQ

What regulatory guidelines apply to Ethyl 2-bromoheptanoate (CAS: 5333-88-0)?

Ethyl 2-bromoheptanoate (CAS: 5333-88-0) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and FDA and EPA requirements in the USA. Regulatory bodies may require hazard communication, risk assessment, and proper storage and disposal practices to ensure safety and environmental compliance.

Are there alternatives to Ethyl 2-bromoheptanoate (CAS: 5333-88-0) in synthesis?

Alternatives to Ethyl 2-bromoheptanoate (CAS: 5333-88-0) in synthesis include other brominated esters or related compounds such as ethyl 3-bromopentanoate or ethyl 2-bromooctanoate. Other substitutes might include using different functional groups or employing alternative reaction mechanisms to achieve similar outcomes.

What is the market or research trend for Ethyl 2-bromoheptanoate (CAS: 5333-88-0)?

The market for Ethyl 2-bromoheptanoate (CAS: 5333-88-0) is primarily driven by its use in synthesis for pharmaceuticals and agrochemicals. Research trends indicate an increasing focus on developing more sustainable and environmentally friendly alternatives. Market dynamics show a steady demand, with recent trends emphasizing the development of greener processes and improved safety profiles.

How should waste containing Ethyl 2-bromoheptanoate (CAS: 5333-88-0) be handled?

Waste containing Ethyl 2-bromoheptanoate (CAS: 5333-88-0) should be collected in appropriate containers and disposed of through professional waste disposal services. Proper handling includes neutralization if necessary, followed by incineration or chemical treatment to ensure safe disposal. Environmental protection precautions should be taken to prevent contamination and ensure compliance with local regulations.