Epoxy curing agent Knowledge Hexanoyl chloride

Hexanoyl chloride

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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.

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