Ethyl 3-bromo-2-oxopropanoate

Basic Information

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CAS Number

70-23-5

Molecular Formula

C5H7BrO3

Molecular Weight

195.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

79 - 82 C

Boiling Point

98-100 °C/10 mmHg

Density

1.554 g/mL at 25 °C

Solubility

Difficult to mix.

Refractive Index

n20/D 1.469(lit.)

SMILES

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CCOC(=O)C(=O)CBr

InChI

InChI=1S/C5H7BrO3/c1-2-9-5(8)4(7)3-6/h2-3H2,1H3

InChIKey

VICYTAYPKBLQFB-UHFFFAOYSA-N

LogP

0.5135

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

121

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

ethyl 3-bromo-2-oxopropionate
AKOS005258152
Ethyl bromopyruvate
Bromopyruvic acid ethyl ester
MFCD00000204
Bromopyruvic acid ethyl
ethyl 3-bromo-2-oxopropanate
Ethyl 3-bromo-2-oxopropanoate #
F0001-1814
.beta.-Bromopyruvic acid ethyl ester
ethyl-3-brompyruvate
BP-20640
FT-0615252
ethyl bromopy-ruvate
C5-H7-Br-O3
3-bromo-2-oxo-propionic acid ethyl ester
ethyl bromo-pyruvate
UNII-VJ4Z94MM35
ethyl 3-bromo-oxopropanoate
W-104564
VJ4Z94MM35
SCHEMBL71304
AMY866
CS-W008597
STR00638
Ethyl 3-bromopyruvate
GTPL10952
DTXSID4058780
Ethyl3-bromo-2-oxopropanoate
STL185590
AC-410

MDL Number

MFCD00000204

Customs Code

29183000

FAQ

What are the physical and chemical properties of Ethyl 3-bromo-2-oxopropanoate (CAS: 70-23-5)?

Ethyl 3-bromo-2-oxopropanoate (CAS: 70-23-5) is a white crystalline solid with a molecular weight of approximately 189.03 g/mol. It is sparingly soluble in water but miscible with common organic solvents. It is moderately reactive, particularly towards nucleophiles and bases. The compound is stable under normal conditions but should be stored in a cool, dark place to avoid photodegradation.

How is Ethyl 3-bromo-2-oxopropanoate (CAS: 70-23-5) typically synthesized?

Ethyl 3-bromo-2-oxopropanoate (CAS: 70-23-5) can be synthesized via bromination of ethyl 2-oxopropanoate using N-bromosuccinimide (NBS) as a brominating agent under UV light. The reaction is typically performed in an inert atmosphere to prevent side reactions. The product is isolated by crystallization from an appropriate solvent.

What industries use Ethyl 3-bromo-2-oxopropanoate (CAS: 70-23-5)?

Ethyl 3-bromo-2-oxopropanoate (CAS: 70-23-5) finds application in pharmaceuticals for the synthesis of certain intermediates and in organic synthesis for the formation of functional groups. It is also used in polymer chemistry as a monomer and in sensor technology for detecting specific analytes.

What precautions should be taken when handling Ethyl 3-bromo-2-oxopropanoate (CAS: 70-23-5)?

When handling Ethyl 3-bromo-2-oxopropanoate (CAS: 70-23-5), gloves and safety glasses should be worn. It is recommended to work in a fume hood due to its potential for generating toxic fumes. In case of skin contact, wash with soap and water, and in case of eye contact, flush with water for at least 15 minutes. Refer to the Safety Data Sheet (SDS) for detailed emergency procedures.