Bromoacetic acid

Basic Information

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CAS Number

79-08-3

Molecular Formula

C2H3BrO2

Molecular Weight

138.95 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Melting Point

46.0 to 50.0 deg-C

Boiling Point

208 °C

Density

1.3429 g/mL

Water Solubility

miscible

Solubility

chloroform: soluble10%, clear, colorless

Refractive Index

n/D 1.4295

SMILES

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C(C(=O)O)Br

InChI

InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)

InChIKey

KDPAWGWELVVRCH-UHFFFAOYSA-N

LogP

0.46590000000000004

pKa

2.69(at 25℃)

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

42.9

Safety Information

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GHS Hazard Pictograms

H315

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Light Sensitive & Hygroscopic

Synonyms & References

English

UN 1938
NCGC00091467-02
To NTU
NSC 141
Monobromessigsaeure [German]
.alpha.-Bromoacetic acid
C2H3BrO2
2-Bromoaceticacid
CHEMBL60851
Bromoacetic acid, reagent grade, 97%
BROMOACETIC ACID, 2-
C2-H3-Br-O2
CAS-79-08-3
DTXCID601495
LS-1770
FT-0772262
J-519938
BROMOACETIC-13C2ACID
Bromoacetic acid, solid
BRN 0506167
DTXSID7021495
BDBM50119693
2-bromo acetic acid
FT-0700929
FT-0770735
Bromoacetic acid, analytical standard
Monobromessigsaeure
Caswell No. 112A
44 - Haloacetic Acids
2-bromo-acetic acid
AI3-15301

MDL Number

MFCD00002678

Customs Code

2915900090

FAQ

What are the physical and chemical properties of bromoacetic acid (CAS: 79-08-3)?

Bromoacetic acid (CAS: 79-08-3) is a colorless, crystalline solid with a melting point of 58-59°C. Its molecular weight is 121.00 g/mol. It is slightly soluble in water and more soluble in organic solvents. Bromoacetic acid is a weak acid and can undergo substitution reactions with nucleophiles, making it reactive in different chemical processes.

How is bromoacetic acid (CAS: 79-08-3) typically synthesized?

Bromoacetic acid can be synthesized by bromination of acetic acid using bromine in the presence of a phase-transfer catalyst. The reaction typically yields a mixture of products, and selective separation techniques are often used to obtain pure bromoacetic acid. The use of a phase-transfer catalyst improves the reaction selectivity and yield.

What industries use bromoacetic acid (CAS: 79-08-3)?

Bromoacetic acid is widely used in the pharmaceutical industry for the synthesis of various drug intermediates. It is also used in the polymer industry for the production of epoxy and polyurethane resin modifiers. Additionally, it has applications in the sensor industry for the development of gas sensors and in the semiconductor industry for etching processes.

What precautions should be taken when handling bromoacetic acid (CAS: 79-08-3)?

When handling bromoacetic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. This compound should be stored in a well-ventilated area and away from sources of ignition. In case of a spill, it should be handled using appropriate safety measures and procedures, and the Material Safety Data Sheet (MSDS) should be consulted for specific instructions. Handling should be conducted under a fume hood to minimize exposure to the fumes.