α – BDMAEE

α,α’-Dibromo-m-xylene

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	06SY
Molecular formula	C8H8Br2
Molecular weight	263.96
label	1,3-bis(bromomethyl)benzene, Benzyl o-dibromide, Dibromo-xylene, 1,3-Bis(bromomethyl)benzene, m-Xylylene dibromide, C6H4(CH2Br)2

Numbering system

CAS number:626-15-3

MDL number:MFCD00000178

EINECS number:210-931-6

RTECS number:None

BRN number:971085

PubChem number:24861239

Physical property data

1. Properties: off-white crystalline powder

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

3. Relative vapor density (g/mL , air = 1): not determined

4. Melting point (ºC): 74-76

5. Boiling point (ºC, normal pressure): not determined

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

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

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

Toxicological data

None yet

Ecological data

Do not allow large quantities of products that are slightly harmful to water 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. Molar refractive index: 51.54

2. Molar volume (cm³/mol): 148.4

3. Isotonic specific volume (90.2K ): 385.1

4. Surface tension (dyne/cm): 45.3

5. Polarizability (10^-24cm³): 20.43

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: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 83.3

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

Keep away from oxides, alkalis, and reactive metals.

Storage method

Store in an airtight container in a cool, dry place. The storage area must be locked and the keys must be given to the technical experts and their assistants. Store away from oxidizing agents.

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

α,α’-Dilaurin

Published by BDMAEE on 2024-02-28 | Permalink

Structural formula

Business number	05JX
Molecular formula	C27H52O5
Molecular weight	456.70
label	1,3-Dilaurin, Glycerol alpha,alpha’-Dilaurate, 1,3-Dilaurin

Numbering system

CAS number:539-93-5

MDL number:None

EINECS number:208-731-9

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):5

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

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

7. Refractive Index: Undetermined

8. Flash point (ºF): 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,55.1ºC): 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

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: 132.17

2. Molar volume (m³/mol）：479.0

3. isotonic specific volume (90.2K):1169.9

4. Surface Tension (dyne/cm):35.5

5. Polarizability（10^-24cm³):52.40

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 9.7

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 26

5. Number of tautomers: None

6. Topological molecule polar surface area 72.8

7. Number of heavy atoms: 32

8. Surface charge: 0

9. Complexity: 386

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

-20°C 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

Purpose

None

α,α’-Dibromo-o-xylene

Published by BDMAEE on 2024-02-21 | Permalink

Structural formula

Business number	0235
Molecular formula	C8H8Br2
Molecular weight	263.96
label	1,2-bis(bromomethyl)benzene, o-Dibromoxylylene, 1,2-Bis(bromomethyl)benzene, o-Xylylene dibromide, C6H4(CH2Br)2

Numbering system

CAS number:91-13-4

MDL number:MFCD00000175

EINECS number:202-042-7

RTECS number:None

BRN number:637159

PubChem number:24861229

Physical property data

None

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 51.54

2. Molar volume (cm³/mol): 148.4

3. Isotonic specific volume (90.2K ): 385.1

4. Surface tension (dyne/cm): 45.3

5. Polarizability (10-24cm3): 20.43

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 81.3

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

None

Storage method

None

Synthesis method

None

Purpose

None

α,α-2,6-Tetrachlorotoluene α,α,2,6-Tetrachlorotoluene

Published by BDMAEE on 2024-01-17 | Permalink

Structural formula

Business number	01RW
Molecular formula	C7H4Cl4
Molecular weight	229
label	None

Numbering system

CAS number:81-19-6

MDL number:MFCD00016349

EINECS number:201-332-0

RTECS number:None

BRN number:908809

PubChem number:24861778

Physical property data

1. Characteristics: colorless liquid.
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): Unsure

6. Boiling point (ºC,5.2kPa):132-136℃(1.6kPa), 140-142 ℃ (2.13kPa)

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)：�margin-top-alt: auto; mso-margin-bottom-alt: auto” align=left>4. Surface Tension (dyne/cm):42.6

5. Polarizability（10^-24cm³):20.08

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 116

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

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

Synthesis method

The preparation method is 2,6-Chlorination of dichlorotoluene yields 2,6-Dichloro–Dichlorobenzyl.
Xianxiang 2,6-Add thionyl chloride to dichlorotoluene, and use phosphorus trichloride as a catalyst , under ultraviolet irradiation at 200℃通 Add chlorine gas, and then use alkali solution to absorb the remaining gas until the mass increases to reach the theoretical amount, and you will get 2, 6- Dichloro– Benzyl dichloride.

Purpose

2,6-Dichloro–Dichlorobenzyl also known as 2,6-二 Chlorobenzylidene dichloride, an important intermediate for the synthesis of benzoyl urea pesticides 2,6-Dichlorobenzaldehyde or 2,6-二 Chlorobenzaldehyde oxime is also an intermediate of the antibiotic diclofenac and penicillin.

AN> 2,6-Add thionyl chloride to dichlorotoluene, and add phosphorus trichloride As a catalyst, under ultraviolet irradiation at 200 ℃, and then use alkali to absorb the remaining gas until the mass increase reaches the theoretical amount, that is, 2,6-Dichloro–Dichlorobenzyl.

Purpose

2,6-Dichloro–Dichlorobenzyl also known as 2,6-二 Chlorobenzylidene dichloride, an important intermediate for the synthesis of benzoyl urea pesticides 2,6-Dichlorobenzaldehyde or 2,6-二 Chlorobenzaldehyde oxime is also an intermediate of the antibiotic diclofenac and penicillin.