admin | Dioxolane,dioxane,Morpholine,Morpholine derivatives

2,5-Diphenyloxazole

admin 4月 29th, 2024 News

2,5-diphenyloxazole structural formula

Structural formula

Business number	0253
Molecular formula	C15H11NO
Molecular weight	221.25
label	2,5-diphenyl-1,3-oxazepine 2,5-diphenylazole

Numbering system

CAS number:92-71-7

MDL number:MFCD00005306

EINECS number:202-181-3

RTECS number:RP6825000

BRN number:157021

PubChem number:24893888

Physical property data

1. Character:Acicular crystals. Can evaporate slightly with water vapor.

2. Density (g/mL,25/4?)?1.0940

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

4. Melting point (ºC): 74

5. Boiling point (ºC,Normal pressure):360

6. Boiling point (ºC, 94.7kpa): Undetermined

7. Refractive index:1.6231

8. Flash Point (ºC): ?150

9. Specific optical rotation (º): Undetermined

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 of water: undetermined

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

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

19. Solubility:Easily soluble in ethanol and ether, almost insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 65.82

2. Molar volume (m³/mol??196.0

3. isotonic specific volume (90.2K)?502.1

4. Surface Tension (dyne/cm):43.0

5. Polarizability?10^-24cm³): 26.09

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: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 26

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 231

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

This product should be sealed and stored in a cool place.

Synthesis method

will1gBenzoylaminobenzene Ethyl ketone is dissolved in5mlin sulfuric acid, heated over a water bath2min, pour into water, colorless crystals precipitate. Filter, there is petroleum ether (boiling range50-70?) recrystallized to get2,5-Diphenyloxazole.

Purpose

Scintillation reagent.

3-Hydroxy-2-naphthoic acid

admin 4月 29th, 2024 News

3-hydroxy-2-naphthoic acid structural formula

Structural formula

Business number	0252
Molecular formula	C11H8O3
Molecular weight	188.18
label	2-Naphthol-3-carboxylic acid, 2-Hydroxy-3-naphthoic acid, ?-Hydroxynaphthoic acid, 2-Naphthol-3-carboxylic acid, ?-Hydroxynaphthoic acid

Numbering system

CAS number:92-70-6

MDL number:MFCD00004103

EINECS number:202-180-8

RTECS number:QL1755000

BRN number:744100

PubChem number:24895525

Physical property data

1. Properties: light yellow crystal.

2. Density (g/mL, 25/4?): 1.034

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

4. Melting point (ºC): 222?223

5. Crystal phase standard combustion heat (enthalpy) (kJ·mol^-1): -4924.1

6. Crystal phase standard claims heat (enthalpy) (kJ·mol^-1): -547.8

7. Refractive index: Undetermined

8. Flash point (ºC): >150

9. Specific rotation (º): Undetermined

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. The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined

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

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

19. Solubility: Easily soluble in ethanol and ether, soluble in benzene, chloroform and alkali solutions, slightly soluble in hot water, almost insoluble in cold water.

Toxicological data

Acute toxicity:

Oral LD50: 783 mg/kg (guinea pig)

800 mg/kg(mus)

832 mg/kg(rat )

Main irritant effects:

On skin: Irritation to skin and mucous membranes.

On the eyes: effects of irritation.

Sensitization: No known sensitizing effects.

Ecological data

General Notes

Water Hazard Level 1 (German Regulation) (PassedList for self-assessment) This substance is slightly hazardous to water.

Do not allow undiluted or large quantities of product to come into contact with groundwater, waterways or sewage systems.

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

Molecular structure data

1. Hydrophobic parameter calculation reference value (XlogP): 2.9

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 4

6. Topological molecular polar surface area (TPSA): 57.5

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7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 227

10. Number of isotope atoms : 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the chemical bond configuration Number of centers: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.9

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 5

6. Topological molecule polar surface area 57.5

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 227

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

Moderately toxic, irritating to skin and mucous membranes. Rats were injected subcutaneously with LD50: 376 mg/kg. The reaction equipment should be sealed, and the carboxylation reactor must meet pressure resistance standards. Operators should wear protective equipment such as protective masks and maintain good ventilation in the workshop.

Storage method

This product should be sealed and stored away from light.

Synthesis method

After ?-naphthol is salted with sodium hydroxide, it is heated and dehydrated under reduced pressure. The anhydrous ?-naphthol salt is carboxylated with carbon dioxide to produce 2,3 acid disodium salt, which is then acidified with sulfuric acid to obtain the finished product. .

Purpose

Dye intermediates. Used to synthesize naphthol AS and other various naphthols, such as naphthol AS-BO, AS-RL, AS-E, AS-D, AS-VL, AS-BS, AS-OL, etc. It can also be used to produce light-fast bright red BBC, light-fast bright red BBN, rubber bright red LG, pigment bright red 6B, and Lisol red BK. Also used as pharmaceutical intermediates.

p-hydroxybiphenyl

admin 4月 29th, 2024 News

P-Hydroxybiphenyl Structural Formula

Structural formula

Business number	0251
Molecular formula	C12H10O
Molecular weight	170
label	phenylphenol, (1,1′-diphenyl)-4-phenol, 4-Hydroxybiphenyl, 4-Hydroxybiphenyl, 4-Hydroxy-1,1′-biphenyl, p-Biphenylol, p-Hydroxydiphenyl, Paraxenol

Numbering system

CAS number:92-69-3

MDL number:MFCD00002347

EINECS number:202-179-2

RTECS number:DV5850000

BRN number:1907452

PubChem number:24866580

Physical property data

1. Properties: White needle-like or flaky solid.

2. Density (g/mL, 20/4?): 1.111

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

4. Melting point (ºC): 164.5

5. Boiling point (ºC, normal pressure): 306.5

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

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7. Refractive index: Undetermined

8. Flash point (ºC): 165

9. Specific rotation (º): Undetermined

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. Log value of oil-water (octanol/water) distribution coefficient: Undetermined

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

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

19. Solubility: Almost insoluble in water, soluble in ethanol, ether, acetone, Soluble in alkaline solution.

Toxicological data

Acute toxicity:

Main irritant effects:

On skin: Irritation to skin and mucous membranes.

On the eyes: effects of irritation.

Sensitization: No known sensitizing effects.

Ecological data

General Notes

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

Water hazard class 2 (German Regulation) (self-assessment via list) The substance is hazardous to water.

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

It is also harmful to fish and plankton in water bodies

If there is no governmentDo not discharge materials into the surrounding environment if permitted.

Toxic to organic matter in water.

Molecular structure data

1. Molar refractive index: 52.72

2. Molar volume (cm³/mol): 153.1

3. Isotonic specific volume (90.2K ): 395.6

4. Surface tension (dyne/cm): 44.5

5. Polarizability (10^-24cm³): 20.90

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 2

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 141

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. It can be sublimated, so you should wear protective clothing when using it.

2. Exist in smoke.

Storage method

Should be sealed and stored away from light.

Synthesis method

Using the by-product distillation residue of phenol produced by the sulfonation method as raw material, the phenylphenol fraction is intercepted through vacuum distillation, and then the difference in solubility of o-phenylphenol and p-phenylphenol in trichlorethylene is used to realize the isomerization separation. It can also be obtained by hydrolysis of p-chlorobiphenyl at high temperatures.

Purpose

Used as dye; intermediate for resin and rubber. The red light sensitizing and green light sensitizing dyes synthesized by this product are one of the main raw materials for color films and are also used as analytical reagents. Colorimetric determination of acetaldehyde and lactic acid, quantitative determination of muramic acid. Inhibitor of deoxyribonuclease I. Intermediates for dyes, resins and rubbers, fungicides, solubilizers for water-soluble paints.

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2,5-Diphenyloxazole

Numbering system

Physical property data

Toxicological data

Ecological data

Molecular structure data

Compute chemical data

Properties and stability

Storage method

Synthesis method

Purpose

3-Hydroxy-2-naphthoic acid

Numbering system

Physical property data

Toxicological data

Ecological data

Molecular structure data

Compute chemical data

Properties and stability

Storage method

Synthesis method

Purpose

p-hydroxybiphenyl

Numbering system

Physical property data

Toxicological data

Ecological data

Molecular structure data

Compute chemical data

Properties and stability

Storage method

Synthesis method

Purpose

PRODUCT