6-Bromohexanoic acid

Basic Information

View in Editor

CAS Number

4224-70-8

Molecular Formula

C6H11BrO2

Molecular Weight

195.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

34.0 to 37.0 deg-C

Boiling Point

170°C/20mmHg

Solubility

methanol: 0.1 g/mL, clear, colorless

Refractive Index

1.4790 (estimate)

SMILES

View in Editor

C(CCC(=O)O)CCBr

InChI

InChI=1S/C6H11BrO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)

InChIKey

NVRVNSHHLPQGCU-UHFFFAOYSA-N

LogP

2.0263

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

83.1

Safety Information

View Safety Information

GHS Hazard Pictograms

H314

Hazard Statement

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

Hazard Class

Class 8 Class 8

Sensitiveness

Sensitive to heat and air

Synonyms & References

English

B1290
CS-W007559
AKOS000119443
6-Bromo-hexanoic acid
4224-70-8
6-bromo-caproic acid
6-Bromo-n-caproic acid
6-Bromohexanoic acid, 97%
6-BROMO HEXANOICACID
6-BROMOHEXANOIC ACID
CHEBI:60700
F3310-0574
F11242
6-Bromocaproic acid
EINECS 224-176-5
GS-3146
Z104477716
6bromohexanoic acid
DTXSID5063366
FT-0620995
BP-23568
6-bromo-hexanicacid
EN300-20313
InChI=1/C6H11BrO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)
6-bromo hexanoic acid
AM20100119
Q27128436
6-bromohexanoicacid
NS00031142
Hexanoic acid, 6-bromo-
SCHEMBL26051

MDL Number

MFCD00004422

Customs Code

29159080

FAQ

What is 6-Bromohexanoic acid (CAS: 4224-70-8)?

6-Bromohexanoic acid is a brominated carboxylic acid with the chemical formula C6H11BrO2. It appears as a colorless to yellowish liquid, is soluble in organic solvents, and has a molecular weight of 186.05 g/mol. This compound is characterized by its reactive bromine functionality and is commonly used in organic synthesis due to its versatility in chemical reactions.

What are the main uses of 6-Bromohexanoic acid (CAS: 4224-70-8)?

6-Bromohexanoic acid is primarily used as an intermediate in the synthesis of pharmaceuticals, pesticides, and flame retardants. Its bromine group allows for further functionalization, making it valuable in research for creating derivatives. It is also applied in industrial chemical processes and as a reagent in organic chemistry for modifying molecular structures.

Is 6-Bromohexanoic acid (CAS: 4224-70-8) safe?

6-Bromohexanoic acid is toxic if inhaled, ingested, or contacted with skin, and may irritate eyes. Safety precautions include wearing gloves, goggles, and a lab coat, and working in a well-ventilated area. It is classified as harmful to aquatic life, so proper disposal is essential. Always follow OSHA and REACH guidelines for handling.

How should 6-Bromohexanoic acid (CAS: 4224-70-8) be stored?

6-Bromohexanoic acid should be stored in a cool, dry, and dark place, preferably below 25°C. Keep in a sealed, airtight container to prevent moisture absorption. Avoid exposure to light and air, and ensure it is stored away from incompatible materials like strong bases or oxidizers. Maintain low humidity to ensure stability and safety.