4,4,4-Trifluorobutyric acid ethyl ester

Structural formula of ethyl 4,4,4-trifluorobutyrate

Structural formula of ethyl 4,4,4-trifluorobutyrate

Structural formula

Business number 04HR
Molecular formula C6H9F3O2
Molecular weight 170.13
label

CF3CH2CH2CO2C2H5,

Alicyclic compounds

Numbering system

CAS number:371-26-6

MDL number:MFCD00041398

EINECS number:None

RTECS number:None

BRN number:1769215

PubChem number:24868070

Physical property data

一 , physical property data


Traits :Light yellow or colorless liquid


Density (g/mL,25/4): 1.16


Relative Vapor density (g/mL, air=1)Not available


Melting point (ºC): Not available


Boiling point (ºC, normal pressure): 127


Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: 1.3526


Flash Point (ºC): Not available


Optical rotation (º): Not available


Spontaneous combustion Point or ignition temperature (ºC): Not available


Steam Pressure (kPa, 25ºC): Not available


Saturation Vapor pressure (kPa, 60ºC): Not available


Burn Heat (KJ/mol):Not available


Critical Temperature (ºC): Not available


Critical Pressure (KPa): Not available


oil and water Log value of (octanol/water) partition coefficient:Not available


Explosion Upper limit (%, V/V): Not available


Explosion Lower limit (%, V/V): Not available


Dissolve Character: Not available

Toxicological data

Two , Toxicological data:


Acute toxicity:Not available.

Ecological data

Three , Ecological data:


1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.

Molecular structure data

1. Molar refractive index: 32.07


2. Molar volume (m3/mol):147.4


3. isotonic specific volume (90.2K):319.2


4. Surface Tension (dyne/cm):21.9


5. Polarizability 10-24 cm3):12.71

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.9

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 130

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

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

Used as organic solvent in resist materials; used as solvent in thermosensitive photosensitive resin

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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