2,2,3,3-Tetrafluoro1,4-butanediol

2,2,3,3-tetrafluoro1,4-butanediol structural formula

2,2,3,3-tetrafluoro1,4-butanediol structural formula

Structural formula

Business number 04SH
Molecular formula C4H6O2F4
Molecular weight 162.08
label

Tetrafluorobutanediol,

2,2,3,3-Tetrafluoro-1,4-butanediol,

1,4-DIHYDROXY-2,2,3,3-TETRAFLUOROBUTANE,

2,2,3,3-TETRAFLUOROBUTANE-1,4-DIOL,

2,2,3,3-TETRAFLUORO-1,4-BUTANEDIOL,

2,2,3,3-Tetrafluorobutane-1,4-diol 97%,

2,2,3,3-Tetrafluorobutane-1,4-diol97%

Numbering system

CAS number:425-61-6

MDL number:MFCD00042375

EINECS number:000-000-0

RTECS number:None

BRN number:1745847

PubChem ID:None

Physical property data

一 , physical property data


Traits :Not available


Density (g/mL,25/4): Not available


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


Melting point (ºC): 85-87


Boiling point (ºC, normal pressure): 110-112


Boiling point (ºC, 5.2kPa): Not available


Refraction Rate: Not available


Flash Point (ºC): 110-112


Optical rotation (º): Not available


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


Steam Pressure (kPa, 25ºC): Not available


saturated 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 the (octanol/water) partition coefficient:Not available


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


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


Dissolve Properties: Not available

��Physical 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:24.23


2 Molar volumem3/mol)111.4


3 Isotonic specific volume (90.2K):252.9


4 Surface tensiondyne/cm)26.5


5 Polarizability(10-24cm39.60

Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 40.5

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 99.8

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

None yet

1,4-Butanediol 1,4-Butanediol

1,4-butanediol structural formula

Structural formula

Business number 031N
Molecular formula C4H10O2
Molecular weight 90.12
label

butylene glycol,

1,4-Dihydroxybutane,

Butylene glycol,

1,4-Dihydroxybutane,

1,4-Butylene glycol,

Tetrasmethylene glycol,

softener,

water absorbent,

plasticizer,

lubricants,

humidifier,

softness,

adhesive,

Brightener for electroplating industry

Numbering system

CAS number:110-63-4

MDL number:MFCD00002968

EINECS number:203-786-5

RTECS number:EK0525000

BRN number:1633445

PubChem number:24854421

Physical property data

1. Properties: colorless viscous liquid, needle-like crystals at low temperatures.

2. Boiling point (ºC, 101.3kPa): 228

3. Melting point (ºC): 19.9

4. Relative density (g/mL, 20 /4ºC): 1.017

5. Relative density (g/mL, 25/4ºC): 1.015

6. Refractive index (n25ºC): 1.4445

7. Viscosity (mPa·s, 20ºC): 88.8

8. Viscosity (mPa·s, 25ºC): 45.27

9. Flash point (ºC, opening): >121

10. Heat of evaporation (KJ/kg): 576.1

11. Heat of combustion (KJ/mol): 2518.8

12. Specific heat capacity (KJ/( kg·K), 20~75ºC, constant pressure): 2.41

13. Critical temperature (ºC): 446

14 Critical pressure (MPa): 6.2

15 Thermal conductivity (W/(m·K), 20ºC): 0.160

16. Solubility: Miscible with water, acetone and alcohol. Slightly soluble in ether, benzene, halogenated hydrocarbons, etc.

17. Refractive index at room temperature (n20): 1.4462

18. Eccentricity factor: 1.189

19. Solubility parameter (J·cm-3)0.5:27.958

20. van der Waals area (cm2·mol-1): 8.320×109

21. van der Waals volume (cm3·mol– 1): 57.000

22. Gas phase standard combustion heat (enthalpy) (kJ·mol-1): -2576.5

23. Gas phase standard claims heat (enthalpy) (kJ·mol-1): -426.7

24. Liquid phase standardu-2% Bi/magnesium silicate (the number is the mass fraction of metal in the catalyst) is the catalyst, the reaction temperature is 95°C, the acetylene partial pressure is 0.1MPa, and the pH value is 5-6. An inert gas is used as a diluent to reduce the partial pressure of acetylene thereby minimizing the risk of explosion. The conversion rate of butyne dry cup alcohol based on formaldehyde is 95%, and propargyl alcohol is recovered. The theoretical yield of butynediol is 95%. The hydrogenation process was improved to two-stage hydrogenation: 35% butynediol aqueous solution and copper acetate flow into the continuous stirred tank reactor, using Ranny Ni as the catalyst, operating at a temperature of 50-60°C and a hydrogen pressure of 1.4-2.0MPa. Crude BDO vapor containing partially hydrogenated and carbonyl compounds is produced. The crude BDO vapor is hydrogenated again in a fixed bed reactor filled with Ni-Cu-Mn/silica gel catalyst. The reaction temperature is 120-140°C and the hydrogen pressure is 13.8-20.7MPa. ISP Company’s research found that the silica gel carrier degraded itself under the conditions of the second stage of high-pressure hydrogenation reaction, causing reactor pressure pulsation. To this end, a new catalyst composed of 15%Ni-7%Cu-05%Mn/AI was developed. The catalyst has high activity under reaction conditions, is self-stable, and has a long life. The yield of 1,4-butanediol was 93.1% based on acetylene.

2. Maleic anhydride hydrogenation method. The production processes using butane as raw material include: Huntsman/Kvaerner method, BPAmcoc/Lurgi Geminox method and Sisas method. Among them, the Kvaerner process is as follows: using a vanadium-based catalyst on a fixed bed to oxidize n-butane into maleic anhydride (MA) in the gas phase, then convert maleic anhydride into the corresponding dimethyl maleic anhydride (DMM), and further gas phase hydrogenation /Hydrolysis gives BDO. MA and excess methanol undergo esterification reaction to generate DMM. Using acidic ion exchange resin as catalyst, at 70-80℃, MA conversion rate is 100%, DMM The yield is 99%. The DMM gas phase hydrogenation process uses copper as the initiator. At 170-190°C and 4-7MPa, the hydrogen/ester feed molar ratio of the reaction system is usually (250-350):1. The yield of crude BDO and GHF obtained by hydrogenation is greater than 99% based on DMM feed. The crude product is continuously distilled through multiple towers and refined into BDO, γ-butyrolactone, and tetrahydrofuran products. The methanol is recovered and recycled to the chemical preparation process. The total BDO yield based on MA is 98%-99%, and the main by-product is butanol (0.1%-0.2%).

3. The butadiene method involves the acetyl oxidation reaction of 1,3- butadiene with acetic acid and oxygen to generate 1 , 4-diacetoxy-2-butene is produced by hydrogenation and hydrolysis. The by-products THF and acetic acid are recycled.

4,1,4-dichlorobutene method 1,4-dichloro Butene is an intermediate product in the process of producing chloroprene from butadiene. It is used as raw material and is hydrolyzed and hydrogenated to obtain 1,4-butanediol.

5. Preparation method:

With a stirrer , two reflux condensers, and a 3L reaction bottle with a dropping funnel, add 60g (2.6mol) of fresh metallic sodium, and quickly add 35g (0.2mol) of diethyl succinate (2) and 700mL of absolute ethanol. The reaction proceeds vigorously and can be cooled in an ice-water bath if necessary. After the reaction is stable, heat the reaction (bath temperature can reach 130°C) to complete the reaction of metallic sodium (about 0.5 to 1 hour). Cool in an ice-water bath and filter out the precipitated sodium chloride. Add 300g anhydrous potassium carbonate to the filtrate to remove water and acid. Filter, and the filter cake is extracted twice with hot ethanol. Combine the filtrate and extract, evaporate the ethanol, and solid salt will precipitate. Add dry acetone, filter, and evaporate the acetone. The residue was distilled under reduced pressure, and the fraction at 133-135°C/2.4kPa was collected to obtain 13g of 1,4-butanediol (1), with a yield of 72%. [1]

Purpose

1. 1,4-Butanediol has many uses. More than half of it is used in the production of tetrahydrofuran in the United States and Western Europe, followed by the production of γ-butyrolactone and polybutylene terephthalate, the latter of which is a rapidly developing engineering plastic; 1,4-butanediol is used as an Chain agents and polyester raw materials are used to produce polyurethane elastomers and flexible polyurethane foams; esters made from 1,4-butanediol are good additives for cellulose, polyvinyl chloride, polyacrylates and polyesters. Plasticizer. 1,4-Butanediol has good hygroscopicity and flexibility, and can be used as gelatin softener and water absorbent, as well as a treatment agent for cellophane and other unused paper. It can also be used to prepare N-methylpyrrolidone, N-vinylpyrrolidone and other pyrrolidone derivatives. It is also used to prepare vitamin B6, pesticides, herbicides and solvents, lubricants, humidifiers, softness, Intermediates for brighteners, solvents, wetting agents and plasticizers in the adhesive and electroplating industries. Cross-linking agent and organic synthesis for manufacturing polyurethane elastomers. It can prepare N-methylpyrrolidone, N-vinylpyrrolidone and other pyrrolidone derivatives, and is also used to prepare vitamin B6, pesticides and herbicides. 2.Basic organic chemical raw materials with high added value are widely used in the field of fine chemicals. It can produce tetrahydrofuran (TH-F), γ-butyrolactone (GBL), N-methylpyrrolidone and N-ethylpyrrolidone, and is also used to produce high-functional polybutyl terephthalate (PBT) and Important raw materials for polyester engineering plastics, elastic fibers, polyester polyol and polytetramethylene ether glycol (PTMEG), polyurethane artificial leather, thermoplastic rubber, adhesives and pharmaceuticals. It can also be used as a chain extender for polyurethane to produce unsaturated polyester resin, etc.

Intermediates for brighteners, solvents, wetting agents and plasticizers. Cross-linking agent and organic synthesis for manufacturing polyurethane elastomers. It can prepare N-methylpyrrolidone, N-vinylpyrrolidone and other pyrrolidone derivatives, and is also used to prepare vitamin B6, pesticides and herbicides. 2.Basic organic chemical raw materials with high added value are widely used in the field of fine chemicals. It can produce tetrahydrofuran (TH-F), γ-butyrolactone (GBL), N-methylpyrrolidone and N-ethylpyrrolidone, and is also used to produce high-functional polybutyl terephthalate (PBT) and Important raw materials for polyester engineering plastics, elastic fibers, polyester polyol and polytetramethylene ether glycol (PTMEG), polyurethane artificial leather, thermoplastic rubber, adhesives and pharmaceuticals. It can also be used as a chain extender for polyurethane to produce unsaturated polyester resin, etc.

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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