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1,5-Dichloroanthraquinone

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.

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1-Aminoanthraquinone

4月 25th, 2024 News

1-Aminoanthraquinone structural formula

Structural formula

Business number 01SY
Molecular formula C14H9NO2
Molecular weight 223.23
label

1-Aminoanthraquinone,

?-Aminoanthraquinone,

?-Aminoanthraquinone,

1-Amino-9,10-anthracenedione,

Aromatic nitrogen-containing compounds and their derivatives

Numbering system

CAS number:82-45-1

MDL number:MFCD00001213

EINECS number:201-423-5

RTECS number:CB5075000

BRN number:396360

PubChem number:24890825

Physical property data

1. Properties: ruby ??red crystal.

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

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

4. Melting point (ºC): 253~254

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

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

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined Determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (kPa, 25ºC): Not determined

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) partition coefficient: Undetermined

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

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

19. Solubility: Easily soluble in ethanol, benzene, and chloroform , ether, glacial acetic acid, hot nitrobenzene and hydrochloric acid, almost insoluble in water. Slightly soluble in ethanol.

Toxicological data

1. Acute toxicity:

Rat abdominal LD50: 1500 mg/kg; Rat LDL0: 600 mg/kg;

Mouse caliber LD: >10 gm/ kg; rat abdominal cavity LD50: 6020mg/kg;

2. Oncogenicity: rat caliber TDL0: 2400 mg/kg/60W-I; rat caliber TD: 3000 mg/kg/60W-I ;

3. Teratogenicity: mice: 250 mg/kg

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 62.90

2. Molar volume (cm3/mol): 161.3

3. Isotonic specific volume (90.2K): 462.7

4. Surface tension (dyne/cm): 67.6

5. Polarizability (10-24cm3): 24.93

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: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 5

6. Topological molecule polar surface area 60.2

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 352

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 is more toxic and irritating than anthraquinone. Can cause skin allergies and cause eczema. The production workshop should be well ventilated and the equipment should be sealed. Protective equipment should be worn during operation.

2. Avoid inhaling the dust of this product and avoid contact with eyes and skin.
?

Storage method

Store in a sealed, cool place away from light.

Packaged in iron drums lined with plastic bags. Net weight per barrel is 25kg or 50kg. Store in a cool, ventilated place. Moisture-proof and sun-proof. Store and transport according to regulations on toxic chemicals.

Synthesis method

1. Nitrification reduction method: Anthraquinone is nitrated with mixed acid to obtain nitroanthraquinone. The reaction product is filtered and washed with hot water until neutral, and then refined with sodium sulfite. Among them, 2-nitroanthraquinone and sodium sulfite generate anthraquinone-2-sodium sulfonate that is easily soluble in water, which is removed by filtering and washing. The obtained 1-nitroanthraquinone is reduced with sodium sulfide to obtain crude 1-aminoanthraquinone, which is refined by adding alkali solution and insurance powder to remove the diaminoanthraquinone, and then oxidized with oxygen, filtered, and dried to obtain the finished product.

2. Anthraquinone sulfonate ammonolysis method: Anthraquinone reacts with fuming sulfuric acid in the presence of mercury sulfate to generate anthraquinone-1-sulfonic acid, which is neutralized with ammonia and then replaced with sodium salt, and then catalyzed by sodium m-nitrobenzene sulfonate Under ammonolysis, 1-aminoanthraquinone is generated, and the finished product is obtained after refining.


Purpose

1. Determine nitrite. Dyes and pharmaceutical intermediates. Organic Synthesis. 2. Important dye intermediates. It can be used to produce reduced khaki 2G, reduced red brown R, reduced olive green B, olive T, olive R, reduced gray M, dispersed red 3B, as well as reactive brilliant blue KN-R and reactive brilliant blue M-BR. ?

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1-chloroanthraquinone

4月 25th, 2024 News

1-chloroanthraquinone structural formula

Structural formula

Business number 01SX
Molecular formula C14H7ClO2
Molecular weight 242.66
label

1-chloroanthraquinone,

?-Chloroanthraquinone,

?-chloroanthraquinone,

Aromatic aldehydes, ketones and their derivatives

Numbering system

CAS number:82-44-0

MDL number:MFCD00001189

EINECS number:201-421-4

RTECS number:CB6150000

BRN number:1912752

PubChem number:24892317

Physical property data

1. Properties: yellow needle crystal, industrial product is light yellow powder.

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

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

4. Melting point (ºC): 162

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

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. Lower explosion limit (%, V/V): Uncertain

19. Solubility: Soluble in acetic acid, nitrobenzene, amyl alcohol and Hot benzene, slightly soluble in hot ethanol, insoluble in water. It is gray-yellow in concentrated sulfuric acid.

Toxicological data

1. Acute toxicity:

Mouse intravenous LD50: 56 mg/kg;

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

Ecological data

None

Molecular structure data

1. Molar refractive index: 63.56

2. Molar volume (cm3/mol): 171.0

3. Isotonic specific volume (90.2K ): 471.9

4. Surface tension (dyne/cm): 58.0

5. Polarizability (10-24cm3)?25.19

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: 0

5. Number of tautomersAmount: None

6. Topological molecule polar surface area 34.1

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 352

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain Number of atomic stereocenters: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15 .Number of covalent bond units: 1

Properties and stability

Poisonous. The raw material anthraquinone can cause allergic eczema, rhinitis, and bronchial asthma. The reaction equipment should be sealed and the workshop should be well ventilated.

Storage method

Stored sealed and protected from light. Packed in iron drums lined with plastic bags, net weight per drum is 50~100kg. Should be stored in a dry, ventilated place, protected from sun and moisture. Store and transport according to general toxic chemicals regulations.

Synthesis method

Anthraquinone is nitrated with a mixed acid of sulfuric acid and nitric acid, and then sulfonated with sodium sulfite to generate sodium anthraquinone-1-sulfonate. The hydrochloric acid solution of sodium chlorate is dropped into the boiling state for chlorination, filtered, and dried to obtain the finished product.

Purpose

Used as an intermediate for anthraquinone vat dyes and other anthraquinone dyes, such as vat brown BR dye.

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