2-Bromo-3-methylbutanoic acid

Basic Information

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CAS Number

565-74-2

Molecular Formula

C5H9BrO2

Molecular Weight

181.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

39-42 °C

Boiling Point

124-126 °C/20 mmHg

Solubility

alcohol: soluble(lit.)

Refractive Index

1.4790 (estimate)

SMILES

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CC(C)C(C(=O)O)Br

InChI

InChI=1S/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)

InChIKey

UEBARDWJXBGYEJ-UHFFFAOYSA-N

LogP

1.4905000000000002

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

90.4

Safety Information

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GHS Hazard Pictograms

H302

H312

H314

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

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

Hazard Class

Class 8 Class 8

Synonyms & References

English

Bromisovaleriansaure
MFCD00004210
2-Bromo-3-methylbutyric acid
M69LGV465C
a-Bromoisovaleric Acid
EINECS 209-291-0
(+/-)-.ALPHA.-BROMOISOPENTANOIC ACID
NSC-6967
alpha-bromo-isovaleric acid
SB47853
FT-0641608
Butyric acid, 2-bromo-3-methyl-
SCHEMBL659682
2-bromo-3-methyl-butyric acid
FT-0611574
AS-11032
FT-0638637
SY033749
alpha-Bromoisovaleric acid, purum, >=98.0% (GC)
DTXSID30870617
NSC6967
R-2-Bromo-3-methylbutyric acid
AKOS000121095
565-74-2
2-Bromo-3-methylbutanoic acid
NSC-167
.alpha.-Bromoisovaleric acid
Z203888738
InChI=1/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8
alpha-Bromoisovaleric acid

MDL Number

MFCD00004210

Customs Code

29159080

FAQ

What regulatory guidelines apply to 2-Bromo-3-methylbutanoic acid (CAS: 565-74-2)?

2-Bromo-3-methylbutanoic acid (CAS: 565-74-2) must comply with the GHS classification, REACH regulations, and FDA/EPA requirements. It is classified as a hazardous substance under GHS, and manufacturers and importers need to register it with REACH. FDA and EPA regulate its use in food and pharmaceutical applications, respectively.

Are there alternatives to 2-Bromo-3-methylbutanoic acid (CAS: 565-74-2) in synthesis?

There are several alternatives to 2-Bromo-3-methylbutanoic acid (CAS: 565-74-2) in synthesis, including 3-Methylbutanoic acid and 2-Bromobutanoic acid. These alternatives can be used depending on the specific reaction conditions and desired product structure.

What is the market or research trend for 2-Bromo-3-methylbutanoic acid (CAS: 565-74-2)?

The market for 2-Bromo-3-methylbutanoic acid (CAS: 565-74-2) has been stable, with increasing research interest in its applications in pharmaceuticals and pesticides. Recent trends show a rise in its use as an intermediate in the synthesis of new drugs and agrochemicals.

How should waste containing 2-Bromo-3-methylbutanoic acid (CAS: 565-74-2) be handled?

Waste containing 2-Bromo-3-methylbutanoic acid (CAS: 565-74-2) should be collected in appropriate containers and disposed of by incineration or through professional waste disposal services. Environmental precautions include ensuring proper containment to prevent leakage and contamination of soil and water sources. Handling should follow all local and international regulations for hazardous waste management.