News | Dioxolane,dioxane,Morpholine,Morpholine derivatives

1,2,4,5-Tetrachlorobenzene

admin 5月 11th, 2024 News

1,2,4,5-Tetrachlorobenzene Structural Formula

Structural formula

Business number	02A7
Molecular formula	C6H2Cl4
Molecular weight	215
label	None

Numbering system

CAS number:95-94-3

MDL number:MFCD00000549

EINECS number:202-466-2

RTECS number:DB9450000

BRN number:1618315

PubChem number:24848038

Physical property data

1. Character: white flakes^[1]

2. Melting point (?): 139~142^[2]

3. Boiling point (?): 243~246^[3]

4. Relative density (water=1): 1.73 (10?)^{[4 ]}

5. Relative vapor density (air=1): 7.4^[5]

6. Saturated vapor pressure (kPa): <0.013 (25?)^[6]

7. Critical temperature (?): 489.8^[7]

8 .Critical pressure (MPa): 3.38^[8]

9. Octanol/water partition coefficient: 4.64^[9]

10. Flash point (?): 155 (CC) ^[10]

11. Solubility: insoluble in water, slightly soluble in ethanol, soluble in benzene and ether and chloroform. ^[11]

12. Vapor pressure temperature (ºC, 5.33kPa): 146

13. Vapor pressure temperature (ºC, 8.0kPa) :157.7

14. Vapor pressure temperature (ºC, 13.3kPa): 173.5

15. Vapor pressure temperature (ºC, 26.7kPa): 196

16. Vapor pressure temperature (ºC, 53.3kPa): 220.3

17. Vapor pressure temperature (ºC, 101.3kPa): 245

18. Gas phase standard entropy (J ·mol^-1·K^-1): 393.60

19. Gas phase standard hot melt (J·mol^-1·K^-1)?144.79

Toxicological data

1. Acute toxicity^[20] LD50: 1500mg/kg (rat oral)

2. Irritation No data yet

3. Subacute and chronic toxicity ^[21] Rabbit inhalation contains 20% tetrachlorobenzene (concentration 4~ 5g/m³ or 8~10g/m³) powder for 1 to 17 days, resulting in a decrease in red blood cells and hemoglobin and an increase in lymphocytes. When rats were fed 0.005 mg/kg, the conditioned reflex activity was changed, the sulfhydryl content in the serum was reduced, and the liver function was slightly disordered.

Ecological data

1. Ecotoxicity^[22]

LC50: 4.35mg/L (48h), 1.55mg/L (96h) (blue gill sunfish); 26.4mg/L (48h) (medaka)

2. Biodegradability^[23]

Aerobic biodegradation (h): 672~4320

Anaerobic biodegradation (h): 2880~17280

3. Non-biodegradability^[24]

Photooxidation half-life in air (h): 763.1~7631

First-order hydrolysis half-life (h): >879a

4. Bioaccumulation ^[25]

BCF: 2720~4830 (carp, exposure concentration 10ppb, exposure time 8 weeks ); 1650~3930 (carp, exposure concentration 1ppb, exposure time 8 weeks)

Molecular structure data

1. Molar refractive index: 45.83

2. Molar volume (cm³/mol): 137.2

3. Isotonic specific volume (90.2K ): 350.7

4. Surface tension (dyne/cm): 42.6

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 18.16

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: 10

8. Surface charge: 0

9. Complexity: 90.3

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

1. Stability^[26] Stable

2. Incompatible substances^[27] Strong oxidizing agent, strong alkali

3. Conditions to avoid contact^[28] Heating

4. Polymerization hazard^[29] No polymerization

5. Decomposition products^[30] Hydrogen chloride

Storage method

Storage Precautions^[31] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The packaging is sealed. They should be stored separately from oxidants, alkalis, and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

Prepared from chlorination of o-dichlorobenzene.

Purpose

Used as an intermediate in organic synthesis. ^[32]

Tetrahydrocortisone

admin 5月 11th, 2024 News

Tetrahydrocortisone structural formula

Structural formula

Business number	015U
Molecular formula	C21H32O5
Molecular weight	364.48
label	TetrahydroE, Tetrahydrocompound E, Urocortisone, THE, 3.alpha.,17,21-Trihydroxy-5-.beta.-pregnane-11,20-dione

Numbering system

CAS number:53-05-4

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character:Crystal.

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

3. Relative vapor density (g/mL,AIR=1): Undetermined

4. Melting point (ºC): 190

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

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

7. Refractive index: Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º):[?]_D²⁵+85.5°(in absolute ethanol).

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

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

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

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of the partition coefficient (water): undetermined

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

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: 1g The product is soluble in6mlWater,40mlEthanol,420mlChloroform, insoluble In ether. Its solubility decreases with increasing temperature.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 95.73

2. Molar volume (m³/mol??291.7

3. isotonic ratio(90.2K)?793.3

4. Surface Tension(dyne/cm)?54.6

5. Polarizability(10-24cm³)?37.95

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):2.2

2. Hydrogen BondingNumber of donors: 3

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 9

6. Topological molecular polar surface area (TPSA):94.8

7. Number of heavy atoms: 26

8. Surface charge: 0

9. Complexity: 632

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 8

12. The number of uncertain atomic stereocenters: 0

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

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

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

Synthesis method

None yet

Purpose

Biochemical research. Standard substance for determination of tetrahydrocortisone in body fluids.

tetramethylbenzene

admin 5月 11th, 2024 News

Structural formula of tetramethylbenzene

Structural formula

Business number	02A6
Molecular formula	C10H14
Molecular weight	134.22
label	1,2,4,5-Tetramethylbenzene, Durene, 1,2,4,5-Tetramethylbenzene, Durol, hydrocarbon solvents, aromatic compounds, For synthesis of pyromellitic acid

Numbering system

CAS number:95-93-2

MDL number:MFCD00008528

EINECS number:202-465-7

RTECS number:DC0500000

BRN number:1903393

PubChem number:24900002

Physical property data

1. Properties: White or colorless crystals with a camphor-like smell.

2. Density (g/mL, 81/4?): 0.84

3. Relative vapor density (g/mL, air=1): 4.6

4. Melting point (ºC): 79.24

5. Boiling point (ºC, normal pressure): 196.8

6. Flash point (ºC): 73

7. Vapor pressure (mmHg, 140ºC): 160

8. Saturated vapor pressure (kPa, 128.1ºC): 13.33

9. Critical temperature (ºC): 402.5

10. Solubility: Insoluble in water, soluble in ethanol, ether, benzene and acetone.

11. Critical pressure (MPa): 2.9

12. Eccentricity factor: 0.435

13. Crystal phase standard entropy (J·mol^{– 1}·K^-1): 416.6

14. Crystal phase standard hot melt (J·mol^-1·K^-1): 183.1

15. Liquid phase standard combustion heat (enthalpy) (kJ·mol^-1): -5837.27

16. Liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -98.66

17. Liquid phase standard entropy (J·mol^-1·K^-1): 300.54

18. Liquid phase standard free energy of formation (kJ·mol^-1): 101.35

19. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1): -5893.50

20. Gas phase standard claimed heat (enthalpy) (kJ ·mol^-1): -42.43

21. Gas phase standard entropy (J·mol^-1·K^-1): 422.8

22. Gas phase standard free energy of formation (kJ·mol^-1): 121.14

23. Refractive index_(n⁸¹_D): 1.479

Toxicological data

Acute toxicity: Rat oral LD50: 6989mg/kg; mouse intravenous LD50: 180mg/kg

Ecological data

This substance is harmful to the environment and it is recommended not to let it enter the environment. Can cause pollution to water bodies and the atmosphere.

Molecular structure data

1. Molar refractive index: 45.55

2. Molar volume (cm³/mol): 154.5

3. Isotonic volume (90.2K): 357.8

4. Surface tension (dyne/cm): 28.7

5. Dielectric constant: 2.41

6 , Dipole moment (10^-24cm³):

7. Polarizability: 18.05

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: 10

8. Surface charge: 0

9. Complexity: 80.6

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

1. Avoid contact with strong oxidants. Flammable. Avoid inhaling the dust of this product and avoid contact with eyes and skin.

2.This product is moderately toxic. LD50 after oral administration: 3.4g/kg for mice and 6.7g/kg for rats. It can make animals lethargic and inhibit the excitability of the central nervous system. It has minimal irritation to the skin, does not cause allergies, and has no signs of absorption through the skin. The maximum allowable concentration in the air is 50 mg/m3.

3. Exist in smoke.
?

Storage method

1. Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature does not exceed 32°C and the relative humidity does not exceed 80%. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. Suitable materials should be available in the storage area to contain spills.

2. Pack in iron drums lined with plastic bags, store in a ventilated, dry place, moisture-proof, sun-proof, and away from fire sources. Store and transport according to regulations on toxic chemicals.

Synthesis method

In industry, tetramethylbenzene has been produced from C9-C10 aromatic hydrocarbon fractions by distillation to remove naphthalene, then frozen (-70°C) and recrystallized. But the cost is higher. Nowadays, it is produced by synthetic method. For example, m-xylene is used as raw material, anhydrous aluminum trichloride is added, methyl chloride is introduced at 100°C for reaction, then left to stand and cooled, the upper dark green oily substance is separated, and after drying, Distill under normal pressure and collect the 180-205°C fraction. In addition, there are methods to produce tetramethylbenzene by isomerization, alkylation, conversion alkylation, disproportionation-isomerization of xylene and trimylene.

Purpose

Used in organic synthesis, plasticizer, and preparation of pyromellitic dianhydride. Used as reagent and raw material of pyromellitic acid.

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1,2,4,5-Tetrachlorobenzene

Numbering system

Physical property data

Toxicological data

Ecological data

Molecular structure data

Compute chemical data

Properties and stability

Storage method

Synthesis method

Purpose

Tetrahydrocortisone

Numbering system

Physical property data

Toxicological data

Ecological data

Molecular structure data

Compute chemical data

Properties and stability

Storage method

Synthesis method

Purpose

tetramethylbenzene

Numbering system

Physical property data

Toxicological data

Ecological data

Molecular structure data

Compute chemical data

Properties and stability

Storage method

Synthesis method

Purpose

PRODUCT