1 | Dioxolane,dioxane,Morpholine,Morpholine derivatives

1,5-Dichloroanthraquinone

admin 4月 25th, 2024 News

1,5-Dichloroanthraquinone structural formula

Structural formula

Business number	01SZ
Molecular formula	C14H6Cl2O2
Molecular weight	277.1
label	None

Numbering system

CAS number:82-46-2

MDL number:MFCD00001190

EINECS number:201-424-0

RTECS number:CB6495000

BRN number:402592

PubChem number:24893947

Physical property data

1. Character: yellow crystal

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

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

4. Melting point (ºC): 245

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

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

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Ratio Optical rotation (º): Uncertain

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

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

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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: soluble Insoluble in nitrobenzene, anisole and benzyl alcohol, insoluble in alcohol, acetic acid, benzene and toluene.

Toxicological data

Neurotoxicity: Rabbit eye test: 500 mg/24HREACTION;

Ecological data

None

Molecular structure data

1. Molar refractive index: 68.45

2. Molar volume (cm³/mol): 182.9

3. Isotonic specific volume (90.2K): 509.1

4. Surface tension (dyne/cm): 59.9

5. Polarizability (10-24cm3): 27.13

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: None

6. Topological molecule polar surface area34.1

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 346

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine Number of stereocenters of chemical bonds: 0

14. Number of stereocenters of uncertain chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

Stored sealed and protected from light.

Synthesis method

The chlorination method is mainly used, using sodium 1,5-anthraquinone disulfonate as raw material, adding sodium chlorate to hydrochloric acid solution for chlorination reaction, and then filtering, washing and drying it.

First add water and anthraquinone-1,5-disulfonic acid sodium salt into the reaction kettle, stir well, then add 30% hydrochloric acid, raise the temperature to 94~95ºC, and slowly add 8% chloric acid Sodium solution. After the addition is completed, test the end point. Take a sample and filter it while it is hot. The end point is that no precipitation occurs after the filtrate is cooled. Cool to below 60ºC, filter, wash until neutral, and dry to obtain 1,5-dichloroanthraquinone.

Purpose

As a dye intermediate. Used to synthesize disperse blue 2BLN.

1,4-Bis(trichloromethyl)benzene

admin 4月 23rd, 2024 News

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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1,4-Butanediol BDO CAS110-63-4

admin 5月 22nd, 2023 product

1,4-Butanediol BDO CAS110-63-4

Overview:

Chinese name: 1,4-Butanediol (BDO)

Alias:Butylene glycol 4-butanediol 1,4-butanediol 4-Dihydroxybutane 1,4-dihydroxybutane

English Name:1,4-Butylene glycol~Tetramethylene glycol; tetramethylene glycol; 1,4-Butylene glycol; 75% 1,4-BUTANEDIOL; butane-1,4-diol; butane-1,1- diol

1,4-Butylene glycol (Butane-1,4-diol) is an organic substance with the molecular formula C4H10O2 and molecular weight 90.12. It is a colorless or light yellow oily liquid in appearance. Flammable, freezing point 20.1?, refractive index 1.4461. soluble in methanol, ethanol, acetone, slightly soluble in ether. It is hygroscopic and has a bitter odor, but slightly sweet in the mouth.

Used as solvent and humidifier, also used in plasticizer, drug, polyester resin, polyurethane resin, etc.

Molecular formula(Formula): C?HO?

Molecular Weight(Molecular Weight): 90.12

CAS No.: 110-63-4

Product Name: Butanediol 4-butanediol 1,4-butanediol 4-Dihydroxybutane 1,4-dihydroxybutane

Molecular structure: See figure

Molecular formula: C?HO?

Molecular weight: 90.12

CAS No.: 110-63-4

EINECS No.: 203-786-5

MDL No. MFCD00002968

Physical and chemical properties:

Colorless, oily liquid, not easy to ignite. In contact with high heat, open flame or oxidizer, there is a risk of combustion.

Freezing point ?19.0?

Mass fraction of 1,4-butanediol?99.5%

Bromine value ?0.10%

Refractive index 1.445~1.446

Water content ?0.10%

Hydroxyl value ?0.2%

Chromaticity (platinum a cobalt color) ?25

Preparation:

Acetylene method: 1,4-butynediol is made by reacting acetylene and formaldehyde in the presence of Cu-Bi catalyst at 98kPa and 80-95?. The latter is then catalyzed by nickel skeleton and hydrogenated at 1.372-2.06 MPa, 50-60°C to 1,4-butenedioate, followed by further catalytic hydrogenation with Ni-Cu-Mn/Al2O3 (13.7-20.6 MPa, 120-140°C) to 1,4-butanediol, which is then purified by distillation after removal of metal ions by ion exchange resin. 2. Maleic Anhydride Hydrogenation method 3. Butadiene method Acetyl oxidation reaction of 1,3-butadiene with acetic acid and oxygen to produce 1,4-diacetoxy-2-butene, then hydrogenated and hydrolyzed to make 4. 1,4-dichlorobutene method 1,4-dichlorobutene is an intermediate product of the process of producing chlorobutadiene from butadiene, which is used as raw material, hydrolyzed and hydrogenated to obtain 1,4-butanediol.

Uses:

1,4-butanediol is an important organic chemical and fine chemical raw material, and is the basic raw material for the production of polybutylene terephthalate (PBT) engineering plastics and PBT fiber; PBT plastic is one of the five most promising engineering plastics.

1,4 butanediol is the main raw material for the production of tetrahydrofuran, which is an important organic solvent. The polytetramethylene glycol ether (PTMEG) obtained after polymerization is the basic raw material for the production of high-elasticity spandex (Lycra fiber). Spandex is mainly used in the production of high-elasticity knitted products such as advanced sportswear and swimwear.

?-butyrolactone, a downstream product of 1,4-butanediol, is the raw material for the production of 2-pyrrolidone and N-methylpyrrolidone products, from which a series of high value-added products such as vinylpyrrolidone and polyvinylpyrrolidone are derived, which are widely used in pesticides, pharmaceuticals and cosmetics.

Applications:

Used as solvent and humidifier, also used to make plasticizer, drugs, polyester resin, polyurethane resin, etc.

Storage and transportation:

Should be sealed and stored in a dry, cool and ventilated warehouse

Package:

200KG/drum Storage: It is recommended to store in dry and cool area with proper ventilation. Please fasten the lid as soon as possible after the original packaging to prevent the mixing of other substances such as water and other substances from affecting the product performance. Do not inhale dust and avoid skin and mucous membrane contact. Smoking, eating and drinking are prohibited in the workplace. After work, shower and change clothes. Store contaminated clothes separately and wash them before use. Maintain good hygiene habits.

Articles tagged with: 1

1,5-Dichloroanthraquinone

Numbering system

Physical property data

Toxicological data

Ecological data

Molecular structure data

Compute chemical data

Properties and stability

Storage method

Synthesis method

Purpose

1,4-Bis(trichloromethyl)benzene

Numbering system

Physical property data

Toxicological data

Ecological data

Molecular structure data

Compute chemical data

Properties and stability

Storage method

Synthesis method

Purpose

1,4-Butanediol BDO CAS110-63-4

PRODUCT