4-Chlorobutyl acetate

What is 4-Chlorobutyl acetate , cas no. 6962-92-1,a producer telling you the result.

CAS NO. 6962-92-1

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To begin with, let us tell you what is the basic information of  4-Chlorobutyl acetate Cas No. 6962-92-1 ?

 

Molecular Weight

150.603

CAS Number

6962-92-1

Density

1.1±0.1 g/cm3

Boiling Point

194.9±0.0 °C at 760 mmHg

Molecular Formula

C6H11ClO2

Flash Point

64.4±0.0 °C

 

 

 

Like many stuff, it has many synonyms as follows

EINECS 230-158-8

4-Chlorobutyl acetate

ω-Chlorobutyl acetate

MFCD00001013

1-Butanol, 4-chloro-, acetate

 

The chemical is very special

 

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Molecular structure data

1. Molar refractive index: 36.47

2. Molar volume (m3/mol): 142.4

3. Isometric volume (90.2K): 334.0

4. Surface tension (dyne/cm): 30.2

5. Polarization rate (10-24cm3): 14.45

Computational Chemistry Data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond receptors: 2

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: None

6. Topological molecule polarity surface area 26.3

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 83.1

10. Number of Isotope Atoms: 0

11. Determine the number of atomic structure centers: 0

12. Number of uncertain atomic structure centers: 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

Second, the Synthetic Route we will recommend is the most important for your reference?

 

First, synthesis line of 4-Chlorobutyl acetate Cas No. 6962-92-1 as follows

 

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Third, what is the usage of  4-Chlorobutyl acetate Cas No. 6962-92-1   pleas see below

 

Main Usage:

 

Intermediates of organic synthesis and pharmaceutical industry.

 

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Other usages as below

 

One kind of raw material for producing 1,4-Butanediol,1,4-diacetate  cas no 628-67-1,which is as follows

One kind of raw material for producing   3-fluorobutyl acetate        cas no 121824-90-6 , which is as follows

 

Besides Safety Information of 4-Chlorobutyl acetate Cas No. 6962-92-1  is also important when handling it

Hazard Codes

Xi

H.S. Code

2915907098

What is the appearance of 4-Chlorobutyl acetate Cas No. 6962-92-1 ?   Please see the picture of 4-Chlorobutyl acetate Cas No. 6962-92-1, below

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Specification of 4-Chlorobutyl acetate Cas No. 6962-92-1, is below

Apperance: colorless clear liquid

Assay: 98 % min by GC

IR identity: conform

Water by KF:0.5% max.

HNMR  picture of  4-Chlorobutyl acetate Cas No. 6962-92-1  is as follows,

 

Reference of  Article cited for your reference below,

(1)

Development of a Completely New PFOS Alternative with Lower Surface Tension for Minimizing the Environmental Burden

Publication Name: Chemical Research in Chinese Universities

Publication Date: 2023-04-19

PMID: 37303471

DOI: 10.1007/s40242-023-3030-4

(2)

Innovative and intensified technology for the biological pretreatment of agro waste for ethanol production

Publication Name: Korean Journal of Chemical Engineering

Publication Date: 2013-02-12

DOI: 10.1007/s11814-012-0215-9

(3)

Synthesis of chloroesters by the reaction of ethers with acyl chlorides catalyzed by ZnO

Publication Name: Chemical Papers

Publication Date: 2020-07-07

DOI: 10.1007/s11696-020-01267-2