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?-estradiol

?-estradiol

4月 23rd, 2024 News

?-estradiol structural formula

Structural formula

Business number 013E
Molecular formula C18H24O2
Molecular weight 272.38
label

Ovocylin,

Dihydroxyestrin,

Estr-1,3,5-(10)-triene-3?,17?-diol,

1,3,5-Estratriene-3,17?-diol,

17?-Estradiol,

3,17?-Dihydroxy-1,3,5(10)-estratriene,

Dihydrofolliculin,

Estradiol; Estradiol; Courtship diol; Dihydroxyestradiol; Estradiol,

Enzymes·Proteins·Peptides

Numbering system

CAS number:50-28-2

MDL number:MFCD00003693

EINECS number:200-023-8

RTECS number:KG2975000

BRN number:1914275

PubChem number:24278426

Physical property data

1. Properties: White or milky white leaf-like or needle-like crystals (ethanol solution); odorless. Stable in air

2. Density (g/mL, 25/4?): Not determined

3. Relative vapor density (g/mL, air=1): Not determined Determined

4. Melting point (ºC): 178-179 °C (lit.)

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2 kPa): Not determined

7. Refractive index: 80.4 ° (C=1, Dioxane)

8. Flash point (ºC): Not determined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25 ºC): Undetermined

12. Saturated vapor pressure (kPa, 60 ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/water) distribution Log value of coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined 19. Solubility : Easily soluble in ethanol, soluble in acetone, chloroform, dioxane and alkali solution, slightly soluble in vegetable oil, almost insoluble in water

Toxicological data

Acute toxicity:

Main irritant effects:

On skin: Irritation to skin and mucous membranes

On eyes: Irritating effects.

Sensitization: No known sensitizing effects.

Ecological data

General notes

Water hazard level 3 (Germany?Example) (Self-assessment via list) This substance is extremely hazardous to water.

Do not allow this product to come into contact with groundwater, waterways or sewage systems, even in small amounts.

Even extremely small amounts of product seeping into the ground can pose a hazard to drinking water

Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 79.50

2. Molar volume (cm3/mol): 232.6

3. Isotonic specific volume (90.2K ): 615.4

4. Surface tension (dyne/cm): 48.9

5. Polarizability (10-24cm3): 31.51

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: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 9

6. Topological molecule polar surface area 40.5

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 382

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 5

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

The effect of estrogen can promote the development of secondary sexual characteristics and the final formation of sexual organs in underage girls. In adult women, in addition to maintaining the above-mentioned secondary sexual characteristics, it can also cause a series of changes in the endometrium to produce cyclic menstruation. It can also increase the activity of the uterus and fallopian tubes and increase the sensitivity of uterine muscles to oxytocin. In addition, estrogen can also increase the deposition of bone calcium salts and accelerate epiphyseal closure. In large doses, it can increase serum triglycerides and phospholipids, causing water and sodium retention. At larger doses, estrogen can also act on the hypothalamic-pituitary system, inhibit the secretion of gonadotropins and prolactin, and offset the main effects of androgens.

Storage method

This product should be sealed and stored in a dry place away from light.

Synthesis method

1. Use androst-4-en-19-desmethyl-3,17-dione to introduce bromine at the 2- and 6-positions through bromination, and then add bromine to 4-ethyl-2-methylpyridine In the presence of dehydrobromination (elimination), 2,4,6-androstatriene-19-desmethyl-3,17-dione is generated, which is then cracked at high temperature to generate estrone, and then lithium aluminum hydrogen is reduced to produce Get this product.

Purpose

1. Intermediates of estradiol valerate and estradiol benzoate.

2.Estrogen drugs. It is used for functional uterine bleeding, primary amenorrhea, menopausal syndrome and prostate cancer.

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1,4-Bis(trichloromethyl)benzene

1,4-Bis(trichloromethyl)benzene

4月 23rd, 2024 News

1,4-bis(trichloromethyl)benzene structural formula

Structural formula

Business number 01FC
Molecular formula C8H4Cl6
Molecular weight 312.84
label

1,4-Bis(trichloromethyl)benzene,

?,?,?,?’,?’,?’-hexachloro-p-xylene,

For hexachlorobenzyl,

Hexachloroparaxylene,

1,4-bistrichlorotoluene,

?,?,?,?’,?’,?’-hexachloro-p-xylene,

antischistosomiasis drugs

Numbering system

CAS number:68-36-0

MDL number:MFCD00000791

EINECS number:200-686-3

RTECS number:ZE4655000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: White needle-like crystals or crystalline powder, with a special odor and tasteless. It will slowly decompose when exposed to light and alkali and become acidic

2. Density (g/mL, 25/4?): Uncertain

3. Relative vapor density (g/mL, Air=1): Uncertain

4. Melting point (ºC): 106-110

5. Boiling point (ºC, normal pressure): 312

6 . Boiling point (ºC, 5.2kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9 . Specific rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion lower limit (%, V/V): Uncertain

19. Solubility : Insoluble in water, easily soluble in ethanol, xylene, petroleum ether and vegetable oil, etc.

Toxicological data

Acute toxicity: Rat oral LD50: 3200 mg/kg; Breeding: Rat oral TDLo: 2330 mg/kgSEX/DURATION: male 26 week(s) pre-mating; Rat oral TDLo: 2330 mg/kgSEX/ DURATION: female 26 weeks(s) pre-mating;

Ecological data

None

Molecular structure data

1. Molar refractive index: 64.32

2. Molar volume (cm3/mol): 192.0

3.   Isotonic volume (90.2K): 495.2

4. Surface tension (dyne/cm): 44.2

5. Polarizability (10-24cm3): 25.50

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 161

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

Storage method

Store in an airtight container away from light.

Synthesis method

Using mixed xylene as raw material, it is first sulfonated with 98% sulfuric acid to generate m-xylene sulfonate. The oil layer containing o- and p-xylene is separated from the sulfonation reaction product, washed with water, dried, and o- and p-xylene is distilled under reduced pressure. The by-product m-xylene can be obtained by hydrolysis of m-xylene sulfonate. 1,4-bis(trichloromethyl)benzene is obtained by chlorination of o- and p-xylene: put o- and p-xylene into the reaction pot, and then add benzoyl peroxide and triethanolamine. After heating to 70°C, introduce chlorine gas under light irradiation, react at 70-80°C for 6 hours, and then raise the temperature to 100-120°C to continue the reaction until the relative density of the reaction solution reaches 1.560-1.580 (65°C), which is the end point of the reaction. Stop passing chlorine and remove residual chlorine under reduced pressure. Cool to 5°C, filter, wash to obtain crude product, recrystallize, and decolorize with activated carbon to obtain finished product.

Purpose

Anti-schistosomiasis drugs. It has certain effects on liver fluke disease, amoebiasis, malaria and intestinal nematodes. However, adverse reactions to the nervous system are more common, and delayed reactions last longer.

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Catalysts: The Unseen Heroes of Chemical Reactions

Catalysts: The Unseen Heroes of Chemical Reactions

4月 11th, 2024 News

Catalysts are substances that increase the rate of a chemical reaction without being consumed in the process. They play a crucial role in various industrial, biological, and environmental processes. This essay will delve into the importance, types, and applications of catalysts, shedding light on these unseen heroes that make countless reactions possible.

Importance of Catalysts

Catalysts are vital for several reasons. Firstly, they significantly speed up chemical reactions, making industrial processes more efficient and cost-effective. Without catalysts, many reactions would occur too slowly or require extremely high temperatures and pressures, making them impractical or uneconomical.

Secondly, catalysts enable selective reactions, allowing the production of specific compounds without unwanted by-products. This selectivity is essential in the synthesis of pharmaceuticals, agrochemicals, and other complex molecules.

Thirdly, catalysts contribute to environmental sustainability. They facilitate cleaner reactions, reducing waste and energy consumption. Moreover, they play a key role in pollution control, such as in catalytic converters that remove harmful emissions from vehicle exhausts.

Types of Catalysts

Catalysts can be broadly classified into two categories: homogeneous and heterogeneous.

Homogeneous catalysts are present in the same phase as the reactants. They often consist of metal ions, acids, or bases dissolved in a liquid solution. Homogeneous catalysts are highly efficient and selective, but their recovery and separation from the products can be challenging.

Heterogeneous catalysts, on the other hand, exist in a different phase than the reactants, typically as solids. They offer the advantage of easy separation and reuse. Common examples include metal surfaces, metal oxides, and zeolites. However, their activity and selectivity can be influenced by various factors, such as surface area, particle size, and temperature.

Applications of Catalysts

Catalysts find extensive applications in numerous industries and natural processes.

In the chemical industry, catalysts are used in the production of basic chemicals like ammonia, sulfuric acid, and polymers. For instance, the Haber-Bosch process, which converts nitrogen and hydrogen into ammonia, relies on an iron-based catalyst.

In the petroleum industry, catalytic cracking and reforming are essential processes for refining crude oil into gasoline, diesel, and other petrochemicals. Catalysts like zeolites and platinum-based compounds break down larger hydrocarbon molecules and rearrange them into more valuable products.

In biology, enzymes act as natural catalysts, accelerating biochemical reactions in living organisms. Enzymes facilitate processes such as digestion, metabolism, and DNA replication with remarkable efficiency and specificity.

In environmental protection, catalysts help mitigate pollution and promote sustainable practices. Catalytic converters in automobiles convert toxic gases like carbon monoxide, nitrogen oxides, and hydrocarbons into less harmful substances. Additionally, catalysts are used in wastewater treatment and green energy technologies, such as fuel cells and solar cells.

 

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