Diethyl dibromomalonate

Basic Information

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CAS Number

631-22-1

Molecular Formula

C7H10Br2O4

Molecular Weight

317.96 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

140-143 °C/18 mmHg

Density

1.68 g/mL at 25 °C

Refractive Index

n20/D 1.484(lit.)

SMILES

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CCOC(=O)C(C(=O)OCC)(Br)Br

InChI

InChI=1S/C7H10Br2O4/c1-3-12-5(10)7(8,9)6(11)13-4-2/h3-4H2,1-2H3

InChIKey

PFZYFZRUPFUEOB-UHFFFAOYSA-N

LogP

1.5987

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

183

Safety Information

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Hazard Class

Class 8 Class 8

Synonyms & References

English

1,3-diethyl 2,2-dibromopropanedioate
Dibromomalonic acid diethyl ester
NSC6759
A868241
Diethyl dibromomalonate
32T45AS5LZ
Diethyl 2,2-dibromomalonate #
Ethyl dibromomalonate
NSC-6759
DTXSID6060890
Propanedioic acid, 2,2-dibromo-, 1,3-diethyl ester
FT-0624674
UNII-32T45AS5LZ
Malonic acid, dibromo-, diethyl ester
EINECS 211-151-9
SCHEMBL3344606
NSC 6759
SY060371
CS-0151899
NS00035303
DIETHYLDIBROMOMALONATE
2,2-Dibromo-malonic acid diethyl ester
MFCD00015154
Dibromo malonic acid, diethyl ester
AKOS005206982
Propanedioic acid, dibromo-, diethyl ester
631-22-1
Diethyl 2,2-dibromomalonate
EN300-8167167
C7H10Br2O4
AS-59071

MDL Number

MFCD00015154

Customs Code

2917190090

FAQ

What regulatory guidelines apply to Diethyl dibromomalonate (CAS: 631-22-1)?

Diethyl dibromomalonate (CAS: 631-22-1) falls under the classification of chemicals with potential health and environmental hazards. It is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for its corrosive properties. Additionally, it is subject to the European Union’s Registration, Evaluation, Authorisation, and Restriction of Chemicals (REACH) regulations. In the United States, it is regulated by the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) for safety and environmental compliance. Proper handling and storage should be in accordance with these guidelines.

Are there alternatives to Diethyl dibromomalonate (CAS: 631-22-1) in synthesis?

There are alternative reagents that can be used in synthesis depending on the specific application. For example, ethyl dibromomalonate or other dibromo malonate derivatives might be used as alternatives. Additionally, synthetic pathways using different functional groups such as bromoacetic acid or bromoform can be explored. The choice of alternative reagents depends on the desired product properties and the reaction conditions.

What is the market or research trend for Diethyl dibromomalonate (CAS: 631-22-1)?

The market for Diethyl dibromomalonate (CAS: 631-22-1) is primarily driven by its use in the synthesis of pharmaceuticals and fine chemicals. Recent research trends focus on developing more sustainable and efficient synthesis methods. There is also growing interest in exploring its applications in advanced materials and polymers. Market trends indicate increasing demand, particularly from the pharmaceutical industry, driven by the development of new drugs.

How should waste containing Diethyl dibromomalonate (CAS: 631-22-1) be handled?

Waste containing Diethyl dibromomalonate (CAS: 631-22-1) should be collected in appropriate, labeled containers and stored in a secure, well-ventilated area. Disposal should be handled by a professional waste management service that specializes in hazardous waste. Incineration may be a suitable method, but it must be done in accordance with local regulations. Environmental precautions include ensuring that the waste does not contaminate soil or water sources. Compliance with regulatory guidelines is essential to ensure safe disposal.