(3-Chloropropyl)malonic acid diethyl ester
CAS NO. 18719-43-2
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To begin with, let us tell you what is the basic information of (3-Chloropropyl)malonic acid diethyl esterCAS NO. 18719-43-2?
Flash Point |
>230 °F |
Molecular Weight |
236.69300 |
Density |
1.101 g/mL at 25 °C(lit.) |
Boiling Point |
136 °C5 mm Hg(lit.) |
Molecular Formula |
C10H17ClO4 |
LogP |
1.74780 |
Like many stuff, it has many synonyms as follows
MFCD00009169 |
2-(3-chloropropyl)malonic acid diethyl ester |
Malonic acid,3-chloropropyl-,diethyl ester |
diethyl chloropropylmalonate |
diethyl 2-(3-chloropropyl)malonate |
(3-Chlor-propyl)-malonsaeure-diaethylester |
Diethyl (3-chloropropyl)malonate |
(3-chloro-propyl)-malonic acid diethyl ester
First, the chemical is very special, some technical indexes as below
Ecological data
It is usually not harmful to water, and materials should not be discharged into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 56.73
2. Molar volume (m3/mol): 212.3
3. Isometric volume (90.2K): 515.2
4. Surface tension (dyne/cm): 34.6
5. Polarization rate (10-24cm3): 122.49
Computational Chemistry Data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.2
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond receptors: 4
4. Number of rotatable chemical bonds: 9
5. Number of tautomers: None
6. Topological molecule polarity surface area 52.6
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 188
10. Isotope atomic number: 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. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and Stability
Stable at room temperature and pressure
Avoided materials: oxides
Storage method
Room temperature, sealed, dark, ventilated and dry
Second, the Synthetic Route we will recommend is the most important for your reference?
First, synthesis line of (3-Chloropropyl)malonic acid diethyl esterCAS NO. 18719-43-2 as follows
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Third, what is the usage of (3-Chloropropyl)malonic acid diethyl esterCAS NO. 18719-43-2 ? pleas see below
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Used for the intermediates for organic synthesis and pharmaceutical industry.
Other usages as below
Can be used for the synthsis of the chemical, 2-(2-chloroacetyl)-N-methyloxazinane-3-carboxamide, Cas No.:. 70236-03-2
Can be used for the synthsis of the chemical , diethyl 2-(3-chloropropyl)-2-ethylpropanedioate Cas No.: 32821-60-6
Can be used for the synthsis of the chemical, 2-(2-chloroacetyl)-N-methyl-5,6-dihydrooxazine-3-carboxamide Cas No.:. 70236-00-9
Besides Safety Information of (3-Chloropropyl)malonic acid diethyl esterCAS NO. 18719-43-2 is also important when handling it
Hazard Codes |
Xi |
WGK Germany |
3 |
H.S.Code: |
2917190090 |
TSCA |
Yes |
HazardClass |
IRRITANT |
What is the appearance of (3-Chloropropyl)malonic acid diethyl esterCAS NO. 18719-43-2? Please see the picture of (3-Chloropropyl)malonic acid diethyl esterCAS NO. 18719-43-2, below
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Specification of (3-Chloropropyl)malonic acid diethyl esterCAS NO. 18719-43-2, is below
Apperance: colorless to light yellow clear liquid
Assay: 98 % min by GC
IR identity: conform
Water:0.5% max by K.F.
HNMR picture of (3-Chloropropyl)malonic acid diethyl esterCAS NO. 18719-43-2 is as follows,
Reference of Article cited for your reference below,
(1)
Publication Number: US-10364208-B2
Priority Date: 2017-01-05
Grant Date: 2019-07-30
(2)
Far superior oxidation catalysts based on macrocyclic compounds
Publication Number: US-2018304247-A1
Priority Date: 2015-09-25
(3)
UN Globally Harmonized System of Classification and Labelling of Chemicals (GHS)
GHS Classification Tree
http://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html