2-Bromohexanoic acid

2-bromohexanoic acid structural formula

Structural formula

Business number 06H0
Molecular formula C6H11BrO2
Molecular weight 195.06
label

DL-2-bromohexanoic acid,

2-Bromocaproic acid,

CH3(CH2)3CHBrCOOH

Numbering system

CAS number:616-05-7

MDL number:MFCD00004218

EINECS number:210-461-1

RTECS number:None

BRN number:1721762

PubChem number:24854586

Physical property data

Physical property data:
1. Character: colorless liquid

2. Density ( g/mL ,25/4℃):1.370


3. Refractive index (nD20):1.4720


4. Melting point (): 4


5. Boiling point (ºC): 240,128-1362.61kPa )


6. Solubility:��Soluble in alcohol and ether

Toxicological data

None

Ecological data

3. Ecological data:


1. Other harmful effects: This substance may be harmful to the environment and should be harmful to water bodies. Give special attention.

Molecular structure data


5. Molecular property data:


1, Molar refractive index:39.10


2, Molar volume (m3/mol):135.7


3, Isotonic specific volume (90.2K ):342.1


4, Surface tension (dyne/ cm):40.3


5 Polarizability (10-24cm3): 15.50

Compute chemical data

4. Calculated chemical data:


1. Hydrophobic parameter calculation reference value (XlogP ): 2.4


2. Number of hydrogen bond donors:1


3. Number of hydrogen bond acceptors: 2


4. Number of rotatable chemical bonds:4


5. Topological molecule polar surface area (TPSA ): 37.3


6. Number of heavy atoms:9


7. Surface charge: 0


8. Complexity:93.1


9. Isotope atoms Quantity: 0


10. Determine the number of atomic stereocenters :0


11. Not sure Number of atomic stereocenters:1


12. Determine chemical bonds Number of stereocenters:0


13. Not sure Number of stereocenters of chemical bonds:0


14. Covalent Number of key units:1

Properties and stability

Properties and stability:


No decomposition products may occur under normal temperatures and pressures.

Storage method

Storage:


Seal the secret container and store it in a sealed main container in a cool place Dry position.

Synthesis method

1. Introduction to production methods


First mix dry bromine and newly steamed n-hexanoic acid, carefully add phosphorus trichloride, and heat to 65-70, the reaction releases a large amount of hydrogen bromide,5-6h ; mso-ascii-font-family: ‘Times New Roman’; mso-hansi-font-family: ‘Times New Roman'”>and then warm it up to 100. The obtained product is distilled under reduced pressure and collected132-1402kPa) fraction to obtain the product2-Bromohexanoic acid, yield83-89%.

Purpose

2. Purpose


Organic synthesis intermediates.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.allhdi.com/archives/48344

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