9 – BDMAEE

9,9′-Dianthracene-10,10′-9H,9’H-dione

Published by BDMAEE on 2024-04-03 | Permalink

Structural formula

Business number	04TP
Molecular formula	C28H18O2
Molecular weight	386.44
label	(9,9’-dianthracene)-10,10’-(9H,9’H)-dione, 9,10-anthracenedione, (9,9’-Bianthracene)-10,10’(9H,9’H)-dione, 9,10-Dianthrone, BIANTHRONYL, 10,10′-DIHYDROBIANTHRONE, 10,10′-DIHYDRODIANTHRONE, Anthrone dimer

Numbering system

CAS number:434-84-4

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

一 , physical property data

Traits ：Not available

Density (g/mL,25/4℃): Not available

Relative Vapor density (g/mL, air=1)：Not available

Melting point (ºC): Not available

Boiling point (ºC, normal pressure):Not available

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: Not available

Flash Point (ºC): Not available

Optical rotation (º): Not available

Spontaneous combustion Point or ignition temperature (ºC): Not available

Steam Pressure (kPa, 25ºC): Not available

saturated Vapor pressure (kPa, 60ºC): Not available

Burn Heat (KJ/mol):Not available

Critical Temperature (ºC): Not available

Critical Pressure (KPa): Not available

oil and water Log value of the (octanol/water) partition coefficient:Not available

Explosion Upper limit (%, V/V): Not available

Explosion Lower limit (%, V/V): Not available

Solubility:Not available

Toxicological data

Two , Toxicological data:

Acute Toxicity:Not available .

Ecological data

Three , Ecological data:

1 , Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.

Molecular structure data

1、 Molar refractive index:115.79

2、 Molar volume（m³/mol)：316.2

3、 Isotonic specific volume (90.2K):845.5

4、 Surface tension（dyne/cm)：51.0

5、 Polarizability(10^-24cm³）： 45.90

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 6.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 34.1

7. Number of heavy atoms: 30

8. Surface charge: 0

9. Complexity: 572

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 yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

9,9′-Diacetate

Published by BDMAEE on 2024-03-25 | Permalink

Structural formula

Business number	05BW
Molecular formula	C26H16O2
Molecular weight	360.40
label	None yet

Numbering system

CAS number:517-45-3

MDL number:MFCD00597968

EINECS number:208-241-5

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character:Undetermined

2. Density (g/ cm³,25/4℃): Undetermined

3. Relative vapor density (g/cm³,AIR=1): Undetermined

4. Melting point (ºC):318-320

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

6. Boiling point (ºC,8kPa): Undetermined

7. Refractive index: Undetermined

8. Flash Point (ºC): Undetermined

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 water) partition coefficient: Undetermined

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

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

19. Solubility:Undetermined

Toxicological data

None yet

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1、 Molar refractive index:108.44

2、 Molar volume（m³/mol)：277.1

3、 Isotonic specific volume (90.2K):759.9

4、 Surface tension（dyne/cm)：56.5

5、 Polarizability(10^-24cm³）：42.98

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 5.9

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 area 18.5

7. Number of heavy atoms: 28

8. Surface charge: 0

9. Complexity: 510

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

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Stored in a cool, dry, well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

9,10-dichloroanthracene

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	068N
Molecular formula	C14H8Cl
Molecular weight	247.12
label	None yet

Numbering system

CAS number:605-48-1

MDL number:MFCD00001246

EINECS number:210-087-9

RTECS number:None

BRN number:1912108

PubChem ID:None

Physical property data

None yet

Toxicological data

None yet

Ecological data

3. Ecological data:

1. Other harmful effects: This substance may be harmful to the environment and should be harmful to water bodies. Give special attention.

Molecular structure data

5. Molecular property data:

1, Molar refractive index:71.72

2, Molar volume (m³/mol):181.5

3, Isotonic specific volume (90.2K ):486.6

4, Surface tension (dyne/ cm):51.6

5、 Polarizability (10^-24cm³): 28.43

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 5.7

2.Number of hydrogen bond donors: 0

3.Number of hydrogen bond acceptors: 0

4.Number of rotatable chemical bonds: 0

5.Interconversion Number of isomers: None

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 16

8. Surface charge: 0

p>

9. Complexity: 203

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12 .The number of uncertain atomic stereocenters: 0

13. The number of determined chemical bond stereocenters: 0

14. The uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Properties and stability:

No decomposition products may occur under normal temperatures and pressures.

Storage method

Storage:

Seal the secret container and store it in a sealed main container in a cool place Dry position.

Synthesis method

None yet

Purpose

None yet

1,4,9,10-anthracenetetraol

Published by BDMAEE on 2024-02-28 | Permalink

Structural formula

Business number	051B
Molecular formula	C14H10O4
Molecular weight	242.23
label	Quinocyanine leucosome, 1,4-Dihydroxyanthraquinone leucobody, 1,4,9,10-Tetrahydroxy-anthracene, Leucoquinizarin, Anthracene-1,4,9,10-tetraol

Numbering system

CAS number:476-60-8

MDL number:None

EINECS number:207-507-8

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character:Undetermined

2. Density (g/ m³,25/4℃): Undetermined

3. Relative vapor density (g/cm³,AIR=1): Not OK

4. Melting point (ºC): 151

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 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 water) partition coefficient: Undetermined

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

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

19. Solubility: Undetermined

Toxicological data

MicroorganismTESTSystemic mutation: bacteria–Salmonella typhimurium:100ug/Tablet

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1、 Molar refractive index:69.46

2、 Molar Volume（m³/mol)：151.3

3、 Isotonic specific volume (90.2K):474.9

4、 Surface tension（dyne/cm)：96.9

5、 Polarizability(10^-24cm³）：27.53

Compute chemical data

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

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 15

6. Topological molecule polar surface area 80.9

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 278

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

According to specifications�It will not decompose during use and storage and avoid contact with oxides

Storage method

Save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.

Synthesis method

None

Purpose

Used as dye intermediate

3,4,9,10-tetracarboxylic dianhydride Perylene-3,4,9,10-tetracarboxylic dianhydride

Published by BDMAEE on 2024-01-30 | Permalink

Structural formula

Business number	03LQ
Molecular formula	C24H8O6
Molecular weight	392.32
label	3,4,9,10-Perylenetetracarboxylic anhydride, Pigment Red 224, 3,4,9,10-Perylenetetracarboxylic dianhydride, Pigment Red 224, PTCDA, aromatic compounds

Numbering system

CAS number:128-69-8

MDL number:MFCD00006916

EINECS number:204-905-3

RTECS number:None

BRN number:57831

PubChem ID:None

Physical property data

1. Properties: Red flashing solid. Brown-red powder.

2. Melting point (℃): >300

3. Solubility: soluble in alkaline solution.

Toxicological data

This product is non-toxic.

Ecological data

None

Molecular structure data

1. Molar refractive index: 109.16

2. Molar volume (cm³/mol): 222.3

3. Isotonic specific volume (90.2K ): 712.1

4. Surface tension (dyne/cm): 105.1

5. Polarizability (10^-24cm³): 43.27

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.5

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 86.7

7. Number of heavy atoms: 30

8. Surface charge: 0

9. Complexity: 730

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

Basic properties

Brown-red powder. Melting point＞300℃. Soluble in alkaline solution.

This product is non-toxic.

Storage method

Packaged in a lined plastic bag and coated in a sack or woven bag. 25kg or 50kg per bag. Store in a cool, ventilated and dry place, protected from heat, moisture, sun and fire. Store and transport according to general chemical regulations.

Synthesis method

Tetracarboxylimide is obtained by alkali fusion from 1,8-naphthalimide, and then deamination is performed with concentrated sulfuric acid to remove water to form anhydride. Raw material consumption quota: 1,8-naphthalene anhydride (raw material for preparing 1,8-naphthalene imide) 2120kg/t, potassium hydroxide (96%) 6000kg/t, concentrated sulfuric acid 20000kg/t.

Purpose

Mainly used to synthesize perylene dyes and pigments, to produce advanced vat dyes, fluorescent dyes and advanced organic pigments, such as vat scarlet K, vat scarlet R, permanent red BL, etc., and also used in synthetic resins and plastics.

3,4,9,10-Perylenetetracarboxylic Diimide 3,4,9,10- Perylenetetracarboxylic Diimide

Published by BDMAEE on 2024-01-18 | Permalink

Structural formula

Business number	01S3
Molecular formula	C25H18N6O4
Molecular weight	466.45
label	None yet

Numbering system

CAS number:81-33-4

MDL number:MFCD00024144

EINECS number:201-344-6

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character:Purple red paste

2. Density (g/mL,25/4℃): Unsure

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

4. Melting point (ºC): Unsure

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

6. Boiling point (ºC,5.2kPa): Unsure

7. Refractive index: Uncertain

8. Flash Point (ºC): Unsure

9. Specific optical rotation (º): Unsure

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

11. Vapor pressure (kPa,25ºC): Unsure

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

ONT-FAMILY: 宋体; mso-ascii-font-family: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial”>Number of rotatable chemical bonds:0

5. Number of tautomers:4

6. Topological molecular polar surface area (TPSA): 92.3

7. Number of heavy atoms:30

8. Surface charge:0

9. Complex Degree: 735

10. Isotopes Number of atoms:0

11. OK Number of atomic stereocenters:0

12. No Determine the number of atomic stereocenters:0

13. OK Number of stereocenters of chemical bonds:0

14. No Determine the number of stereocenters of chemical bonds:0

15. Total Number of price key units:1

Properties and stability

None yet

Storage method

This product should be sealed and stored in a dry and dark place.

Synthesis method

None yet

Purpose

An important raw material for the synthesis of perylene dyes and pigments

t: l0 level1 lfo1; tab-stops: list 39.3pt; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto” align=left>11, Determine the number of atomic stereocenters:0

12. No Determine the number of atomic stereocenters:0

13. OK Number of stereocenters of chemical bonds:0

14. No Determine the number of stereocenters of chemical bonds:0

15. Total Number of price key units:1

Properties and stability

None yet

Storage method

This product should be sealed and stored in a dry and dark place.

Synthesis method

None yet

Purpose

An important raw material for the synthesis of perylene dyes and pigments

9,10-Phenanthrenequione 9,10-Phenanthrenequione

Published by BDMAEE on 2024-01-10 | Permalink

Structural formula

Business number	01UE
Molecular formula	C14H8O2
Molecular weight	208.21
label	9,10-phenanthrenequinone, 9,10-phenanthrenedione, phenanthrenequinone, 9,10-Phenanthrenedione, Aromatic aldehydes, ketones and their derivatives

Numbering system

CAS number:84-11-7

MDL number:MFCD00001163

EINECS number:201-515-5

RTECS number:SF7875000

BRN number:608838

PubChem ID:None

Physical property data

1. Properties: Orange-yellow needle-like crystals.

2. Density (g/mL, 25/4℃): 1.405

3. Relative density (20℃, 4℃): 1.405²²

4. Melting point (ºC): 209℃

5. Boiling point (ºC, normal pressure): above 360℃

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

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

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) partition coefficient: Undetermined

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

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

19. Solubility: Insoluble in water, slightly Soluble in ethanol, benzene, ethyl acetate, soluble in ether and hot acetic acid

Toxicological data

Acute toxicity:

Mouse abdominal cavity LD50: 165mg/kg;

2. Chronic toxicity/carcinogenicity: Mouse skin TDL0: 800 mg/kg/29W-C

3. Teratogenicity

Salmonella: 30 umol/L;

Bacillus subtilis: 400ug/plate

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 58.66

2. Molar volume (cm³/mol): 159.0

3. Isotonic specific volume (90.2K ): 434.8

4. Surface tension (dyne/cm): 55.8

5. Polarizability (10^-24cm³): 23.25

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 2.5

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Topological molecular polar surface area (TPSA): 34.1

6. Number of heavy atoms: 16

7. Surface charge: 0

8. Complexity: 289

9. Number of isotope atoms: 0

10. Determine the number of atomic stereocenters: 0

11. No Determine the number of atomic stereocenters: 0

12, Determine the number of chemical bond stereocenters: 0

13, Uncertain number of chemical bond stereocenters: 0

14. Number of covalent bond units: 1

Properties and stability

This product can be absorbed through the skin and cause poisoning. Animal test results show that the lowest oral poisoning dose for mice is 20 mg/kg (for one consecutive day). Operators should wear protective equipment.
　

Storage method

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

Packed in plastic bags lined with woven bags, stored in a cool, dry and ventilated place, protected from sun and moisture, and away from fire and heat sources. Store and transport according to general chemical regulations.

Synthesis method

Made from phenanthrene oxidation, there are chemical methods and electrolysis methods. 1. Chemical method uses sodium (or potassium) dichromate and phenanthrene in sulfuric acid aqueous solution for oxidation. 2. The electrolyte of the electrolytic oxidation method contains 120g/L of chromium trioxide, 450g/L of sulfuric acid, and 35g/L of phenanthrene. The cathode current density is 3.75A/cm2, the electrolyte temperature is 60-65°C, and after 8 hours of electrolysis, the product is filtered.

Purpose

Phenanthrenequinone itself is a pesticide and can be used as a fungicide, seed dressing agent, electrophotography, photoconductive material, photosensitive solder resist and paper preservative.