Toluene diisocyanate manufacturer Knowledge Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate

Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate

Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate  Ester structural formula

Structural formula

Business number 05U1
Molecular formula C9H11F3O4
Molecular weight 240.18
label

Ethoxy-2-methylenetrifluoroacetoacetate,

Medicine

Numbering system

CAS number:571-55-1

MDL number:MFCD02677683

EINECS number:None

RTECS number:None

BRN number:None

PubChem number:24867645

Physical property data

1. Physical property data


1. Density (g/mL ,25/4℃):1.235


2. Flashpoint ():104


3. Boiling point (ºC,1mmHg ): 80-82

Toxicological data

None

Ecological data

None

Molecular structure data


5. Molecular property data:


1. Molar refractive index: 47.65


2. Molar volume (m3/mol):193.8


3. isotonic specific volume (90.2K):446.6


4. Surface Tension (dyne/cm):28.1


5. Polarizability10-24cm3):18.89

Compute chemical data

4. Calculated chemical data:


1. Hydrophobic parameters Calculate reference value (XlogP):3.5


2. Hydrogen Bonding Number of donors: 1


3. Hydrogen Bonding Number of receptors: 2


4. Rotatable Number of chemical bonds: 4


5. Topological molecules Polar surface area (TPSA):37.3


6. Heavy atoms Quantity: 15


7. Surface charge :0


8. Complexity :203


9. Isotope atomic number:0


10. Determine the number of atomic stereocenters:0


11. Uncertain number of atomic stereocenters:1


12. Determine the number of stereocenters of chemical bonds:0


13. Uncertain number of chemical bond stereocenters:0


14. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/30023

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