Cetyl Chloride
CAS NO. 4860-03-1
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To begin with, let us tell you what is the basic information of Cetyl Chloride
Flash Point |
138.1±3.4 °C |
Molecular Weight |
260.886 |
Density |
0.9±0.1 g/cm3 |
MSDS |
|
Molecular Formula |
C16H33Cl |
Melting Point |
8-14 °C(lit.) |
Boiling Point |
321.8±5.0 °C at 760 mmHg |
|
|
Like many stuff, it has many synonyms as follows
Palmityl chloride
1-Chlorhexadecan
1-Cyclohexadecane
Palmityl chloride
1-Chlorhexadecan
1-chloro-hexadecane
1-CHLOROHEXADECYNE
1-Hexadecylchlorid
chlorohexadecane
1-chloro-hexadecan
CETYL CHLORIDE
hexadecanoyl chloride
1-Chlorohexadecane
Hexadecyl Chloride
Hexadecane, 1-chloro-
1-chloro-hexadecane
1-CHLOROHEXADECYNE
1-Hexadecylchlorid
chlorohexadecane
1-hexadecane chloride
The chemical is very special,so we want to show some special properties as follows
Computational Chemistry Data
1. Reference value for hydrophobic parameter calculation (XlogP): 9
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond receptors: 0
4. Number of rotatable chemical bonds: 14
5. Topological molecular polarity surface area (TPSA): 0
6. Number of heavy atoms: 17
7. Surface charge: 0
8. Complexity: 123
9. Number of Isotope Atoms: 0
10. Determine the number of atomic structure centers: 0
11. Number of uncertain atomic construction centers: 0
12. Determine the number of chemical bond stereocenters: 0
13. Number of uncertain chemical bond stereocenters: 0
14. Number of covalent bond units: 1
Second, the Synthetic Route we will recommend is the most important for your reference?
main synthesis lines as follows
Third, what is the usage of Cetyl Chloride ? pleas see below
mainly used one of Organic synthesis intermediates, also used as surfactants.
A. One kind of raw material for producing (3-hexadecyloxysulfonyl-propyl)-trimethyl-ammonium, chloride cas no. 66143-63-3
B. One kind of raw material for producing 1-hexadecylsulfanylhexadecane cas no. 3312-77-4
C.. One kind of raw material for producing 2-carboxybenzenediazonium,chloride cas no. 4661-46-5
,which is as follows
Besides Safety Information is also important when handling it
Dangerous Goods Sign Xi
Hazard Category Code 36/37/38
Safety instructions 26-36
Dangerous goods transport number UN 3082 9/PG 3
WGK Germany 3
TSCA Yes
Customs code 29031980
Main irritant effects
On the eyes: May cause inflammation
Sensitization: No known sensitization effects
What is the appearance of it ? Please see the picture of Cetyl Chloride below
Specification of it is below
Apperance: colorless clear liquid
Assay: 99% min by GC
HNMR picture of Cetyl Chloride ,cas no. 4860-03-1 is as follows
Raman spectra is as follows
IR picture is as follows
Reference of Article cited for your reference below,
2.Laboratory Chemical Safety Summary (LCSS) Datasheet cited by pubchem
DOI: 10.1002/poc.3239
Publication Date: 2013
Publication Name: Journal of Physical Organic Chemistry