2-Bromohexanoic acid

Basic Information

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CAS Number

616-05-7

Molecular Formula

C6H11BrO2

Molecular Weight

195.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

4 ºC

Boiling Point

136-138 °C/18 mmHg

Density

1.37 g/mL at 25 °C

Solubility

alcohol: soluble(lit.)

Refractive Index

n20/D 1.472(lit.)

SMILES

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CCCCC(C(=O)O)Br

InChI

InChI=1S/C6H11BrO2/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)

InChIKey

HZTPKMIMXLTOSK-UHFFFAOYSA-N

LogP

2.0246999999999997

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

93.1

Safety Information

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Hazard Statement

H290 May be corrosive to metals
Corrosive to Metals

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

Hazard Class

Class 8 Class 8

Synonyms & References

English

SCHEMBL140785
(+/-)-2-BROMOHEXANOIC ACID
CS-0152387
alpha-Bromo-n-caproic acid
UNII-99GKX2FXIB
2-Bromocaproic acid
NSC-73987
.alpha.-Bromohexanoic acid
DL-.ALPHA.-BROMOCAPROIC ACID
DL-2-Bromocaproic acid
.ALPHA.-BROMO-N-CAPROIC ACID [MI]
EN300-20411
AI3-11171
DTXSID50883244
99GKX2FXIB
2-BROMOHEXANOIC ACID
616-05-7
bromohexanoic acid
NSC 73987
AS-15504
2-bromo-hexanoic acid
MFCD00004218
Q27272208
F2191-0204
alpha-Bromohexanoic acid
Hexanoic acid, 2-bromo-
DL-2-Bromohexanoicacid
(+/-)-2-BROMOCAPRONIC ACID
DL-2-Bromohexanoic acid
2-Bromohexanoic acid, 97%
EINECS 210-461-1

MDL Number

MFCD00004218

FAQ

What are the physical and chemical properties of 2-Bromohexanoic acid (CAS: 616-05-7)?

2-Bromohexanoic acid is a crystalline solid with a molecular weight of 212.03 g/mol. It has a low solubility in water and is soluble in organic solvents like ethanol and acetone. Chemically, it reacts with bases to form bromohexanoate salts and is prone to hydrolysis under basic conditions.

How is 2-Bromohexanoic acid (CAS: 616-05-7) typically synthesized?

2-Bromohexanoic acid is commonly synthesized by reacting hexanoic acid with bromine in the presence of a base like sodium hydroxide. The reaction is relatively straightforward, with a good yield and selectivity. The specific conditions and reagents can vary, but this method is widely used in the industry.

What industries use 2-Bromohexanoic acid (CAS: 616-05-7)?

2-Bromohexanoic acid is used in various industries, including pharmaceuticals for drug synthesis, polymers for functional materials, and sensors for chemical detection. It also finds applications in the production of semiconductors and as a precursor in other organic synthesis reactions.

What precautions should be taken when handling 2-Bromohexanoic acid (CAS: 616-05-7)?

When handling 2-Bromohexanoic acid, it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up with appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.