Ethyl 2-bromohexanoate

Basic Information

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CAS Number

615-96-3

Molecular Formula

C8H15BrO2

Molecular Weight

223.11 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

Melting Point

214°C

Boiling Point

213-215 °C

Density

1.221 g/mL at 25 °C

Refractive Index

n20/D 1.45(lit.)

SMILES

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CCCCC(C(=O)OCC)Br

InChI

InChI=1S/C8H15BrO2/c1-3-5-6-7(9)8(10)11-4-2/h7H,3-6H2,1-2H3

InChIKey

KOUAQOCYMAENKN-UHFFFAOYSA-N

LogP

2.5032000000000005

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

115

Safety Information

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GHS Hazard Pictograms

H302

H314

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

3Y8V12H8PL
ethyl bromohexanoate
Hexanoic acid, 2-bromo-, ethyl ester
D95689
KOUAQOCYMAENKN-UHFFFAOYSA-
EINECS 210-455-9
NSC 8879
Ethyl 2-bromocapronate
2-Bromohexanoic acid ethyl ester
Ethyl 2-bromohexanoate
NSC8879
alpha-Bromocaproic acid, ethyl ester
alpha-bromocaproic acid ethyl ester
FT-0625936
ETHYL 2-BROMOHEXANOATE, (+/-)-
DTXSID30883242
.ALPHA.-BROMO-N-CAPROIC ACID ETHYL ESTER [MI]
Ethyl 2-bromohexanoate, 99%
MFCD00000162
SCHEMBL729131
Ethyl alpha-bromocaproate
Ethyl 2-bromocaproate
Q27258210
NS00042150
DL-ETHYL 2-BROMOHEXANOATE
UNII-3Y8V12H8PL
W-105124
.alpha.-Bromocaproic acid, ethyl ester
AKOS015833852
LS-13483
NSC-8879

MDL Number

MFCD00000162

Customs Code

2915900090

FAQ

What regulatory guidelines apply to Ethyl 2-bromohexanoate (CAS: 615-96-3)?

Ethyl 2-bromohexanoate (CAS: 615-96-3) falls under the classification of organic bromine compounds. It is regulated by the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) under category 3 for skin and eye irritation. Additionally, it is subject to the European Union's REACH regulations for registration, evaluation, authorization, and restriction of chemicals. It is also regulated by the U.S. Food and Drug Administration (FDA) and the Environmental Protection Agency (EPA) for safety and environmental impact assessments.

Are there alternatives to Ethyl 2-bromohexanoate (CAS: 615-96-3) in synthesis?

Ethyl 2-bromohexanoate (CAS: 615-96-3) can be synthesized using various bromination methods. Alternatives include Ethyl 2-chlorohexanoate or Ethyl 2-iodohexanoate, which may provide similar functionalities in some applications. Other common reagents like ethyl 2-bromo-1,1,1-trifluoropropanoate can also be considered depending on the specific reaction requirements.

What is the market or research trend for Ethyl 2-bromohexanoate (CAS: 615-96-3)?

The market for Ethyl 2-bromohexanoate (CAS: 615-96-3) is growing due to its use in various industries such as pharmaceuticals, agrochemicals, and fine chemicals. Research trends include the development of more sustainable and environmentally friendly synthesis methods. There is also increasing interest in understanding the bromine-containing compounds' impact on the environment and human health, leading to more stringent regulatory requirements and safer handling practices.

How should waste containing Ethyl 2-bromohexanoate (CAS: 615-96-3) be handled?

Waste containing Ethyl 2-bromohexanoate (CAS: 615-96-3) should be collected in a sealed, leak-proof container and stored in a well-ventilated area. It is recommended to neutralize the waste with an appropriate reagent before incineration or professional disposal. Environmental protection measures should include using certified waste disposal facilities to minimize the environmental impact. Proper training and personal protective equipment (PPE) should be utilized to ensure safety during handling and disposal processes.