Hexanoyl chloride

Structure formula of caproyl chloride

Structural formula

Business number 03V5
Molecular formula C6H11ClO
Molecular weight 134.60
label

crystalline calcium oxide,

Caproyl chloride

Numbering system

CAS number:142-61-0

MDL number:MFCD00000760

EINECS number:205-549-1

RTECS number:None

BRN number:506332

PubChem number:24849650

Physical property data

1. Physical property data:

1.Character: colorless or light yellow liquid

2.Relative density: 0.9805

3.Refractive index: 1.4286

4.Flash point (℃):50

5.Melting point (℃): -87.3

6.Boiling point (ºC): 151-153

7.Solubility: Soluble in most organic solvents such as ether and chloroform.

Toxicological data

None

Ecological data

3. Ecology Data:

1, other harmful effects: This substance may be harmful to the environment, special attention should be paid to water bodies.

Molecular structure data

5. Molecular property data:

1. Molar refractive index:34.72

2. Molar volume (cm3/mol): 136.0

3. Isotonic specific volume (90.2K ):314.3

4. Surface tension (dyne/ cm):28.4

5. Polarizability10-24cm3):13.76

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 70.9

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Stable under normal temperature and pressure.

Incompatible materials:Water, alcohols, strong oxidants, strong bases.

Storage method

Store sealed in a cool and dry place.

Synthesis method

Obtained from the reaction of n-ethanol and thionyl chloride. Add thionyl chloride to 50-70 mixed with n-hexanoic acid at 70-90 reaction 4h. Distilled, collected147-160 fraction to obtain hexanoyl chloride.

Purpose

1.This product is used as an intermediate in organic synthesis. Used to prepare the antifungal drug tribromophenyl hexanoate and also used as a liquid crystal intermediate.

2.For organic synthesis.

3.Used as an acylating agent in organic synthesis.

T-SIZE: 9pt; FONT-FAMILY: 宋体; mso-bidi-font-family: Arial; mso-ascii-font-family: Arial; mso-hansi-font-family: Arial”>Polarizability 10-24 cm3):13.76

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 70.9

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Stable under normal temperature and pressure.

Incompatible materials:Water, alcohols, strong oxidants, strong bases.

Storage method

Store sealed in a cool and dry place.

Synthesis method

Obtained from the reaction of n-ethanol and thionyl chloride. Add thionyl chloride to 50-70 mixed with n-hexanoic acid at 70-90 reaction 4h. Distilled, collected147-160 fraction to obtain hexanoyl chloride.

Purpose

1.This product is used as an intermediate in organic synthesis. Used to prepare the antifungal drug tribromophenyl hexanoate and also used as a liquid crystal intermediate.

2.For organic synthesis.

3.Used as an acylating agent in organic synthesis.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.allhdi.com/archives/45744

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