2-Chloro-1 – BDMAEE

2-Chloro-1,4-benzoquinone

Published by BDMAEE on 2024-03-26 | Permalink

Structural formula

Business number	07AQ
Molecular formula	C6H3ClO2
Molecular weight	142.54
label	2-Chloro-1,4-benzoquinone, o-Chloroquinone, o-Chloroquinone, 2-Chloro-p-benzoquinone, Alicyclic compounds

Numbering system

CAS number:695-99-8

MDL number:MFCD00075260

EINECS number:None

RTECS number:None

BRN number:None

PubChem number:24861155

Physical property data

1. Properties: Solid.

2. The gas phase standard claims heat (enthalpy) (kJ·mol^-1): -314.0

3. The liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -158.0

4. Melting point (ºC): 57

5. Boiling point (ºC, normal pressure): Not available Determined

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

7. Refractive index: Not determined

8. Flash point (ºC): Not determined 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

p>

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil-water (octanol/water) partition coefficient Logarithmic value of p>

19. Solubility: Undetermined.

Toxicological data

None yet

Ecological data

Do not allow undiluted or large quantities of products that are slightly hazardous 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: 32.43

2. Molar volume (cm³/mol): 101.5

3. Isotonic specific volume (90.2K ): 261.4

4. Surface tension (dyne/cm): 43.8

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 12.85

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Hydrogen bond acceptor�Number: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: None

6. Topological molecule polar surface area 34.1

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 225

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

Keep away from oxides.

Storage method

Store in an airtight container in a cool, dry place. Store away from oxidizing agents.

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

2-Chloro-1,3-dinitrobenzene

Published by BDMAEE on 2024-03-22 | Permalink

Structural formula

Business number	0693
Molecular formula	C6H3ClN2O4
Molecular weight	202.55
label	2,6-dinitrochlorobenzene, 2,6-Dinitrochlorobenzene, Analytical reagents

Numbering system

CAS number:606-21-3

MDL number:None

EINECS number:210-107-6

RTECS number:CZ0525500

BRN number:None

PubChem ID:None

Physical property data

1. Properties: Yellow needle-like crystals.

2. Density (g/mL, 16/4℃): 1.6867

3. Melting point (℃): 88

4. Boiling point (ºC): 315

p>

5. Solubility: soluble in ethanol and ether, insoluble in water.

Toxicological data

None

Ecological data

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

Molecular structure data

1. Molar refractive index: 44.23

2. Molar volume (cm³/mol): 125.0

3. Isotonic specific volume (90.2K): 354.1

4. Surface tension (dyne/cm): 64.2

5. Polarizability (10^-24cm³): 17.53

Compute chemical data

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

2. Number of hydrogen bond donors: None

3. Number of hydrogen bond acceptors: None

4. Number of rotatable chemical bonds: None

5. Number of tautomers: None

6. Topological molecular polar surface area None

7. Number of heavy atoms: None

8. Surface charge: None

9. Complexity: None

10. Number of isotope atoms: None

p>

11. Determine the number of atomic stereocenters: None

12. Uncertain number of atomic stereocenters: None

13. Determine the number of chemical bond stereocenters: None

14. Number of uncertain chemical bond stereocenters: None

15. Number of covalent bond units: None

Properties and stability

The product may not decompose under normal temperature and pressure.

Toxic. It has a significant irritating effect on the skin and mucous membranes, can cause severe dermatitis and blood poisoning, and damage the liver, kidneys and nervous system, leading to neuralgia, neuritis and neuromyositis. The maximum allowable concentration in the air is 1mg/m³. Operators should wear protective equipment, and clothes should be washed promptly after contamination.

Storage method

Seal the secret container and store it in a sealed main container in a cool, dry place.

Synthesis method

It is obtained by diazotization and substitution of 2,6-dinitroaniline. Add sodium nitrite to concentrated sulfuric acid, stir, and heat to 70°C. After all is dissolved, cool the solution to 25-30°C. Slowly add the solution prepared by 2,6-dinitroaniline and glacial acetic acid, and control the addition speed to keep the reaction temperature above 40°C. After adding, stir at 40℃half an hour. Then add pre-cooled concentrated hydrochloric acid solution of cuprous chloride, the reaction is exothermic and bubbles are generated. When the reaction becomes gentle, heat to 80°C and stop bubbling after 20 minutes. Add an equal volume of water, cool, filter, wash with water, dry, and recrystallize with acetic acid to obtain 2,6-dinitrochlorobenzene. The yield is about 70%.

Purpose

Dye intermediates. Used in the preparation of sulfur dyes. Also used as analytical reagents.

Resource:allhdi.com

2-Chloro-1,1,2-trifluoroethyl methyl ether

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	04SK
Molecular formula	None yet
Molecular weight	148.51
label	2-Chloro-1,1,2-trifluoroethyl methyl ether, 1-Chloro-1,2,2-trifluoro-2-methoxyethane, 2-Chloro-1,1,2-trifluoro-1-methoxyethane, Ether, 2-chloro-1,1,2-trifluoroethyl methyl, ether,2-chloro-1,1,2-trifluoroethylmethyl, 2-CHLORO-1,1,2-TRIFLUOROETHYL METHYL ETHER, 2-Chloro-1,1,2-trifluoroethyl methyl ether 9

Numbering system

CAS number:425-87-6

MDL number:None

EINECS number:207-038-9

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

一 , physical property data

Traits ：Not available

Density (g/mL,25/4℃): 1.364

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

Melting point (ºC): Not available

Boiling point (ºC, normal pressure): 65

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: 1.334

Flash Point (ºC): 66

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

Dissolve Properties: Not available

Toxicological data

2. Toxicological data:

Acute Toxicity: LD50: 5130 mg/kg (rat oral); 0.2 ml/ Kg (rabbit transdermal) .

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:22.95

2、 Molar volume（m³/mol)：112.5

3、 isotonic ratio (90.2K):230.6

4、 Surface tension（dyne/cm)：17.6

5、 Polarizability(10^-24cm³）：9.10

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: None

6. Topological molecule polar surface area 9.2

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 76.9

10. Number of isotope atoms: 0

11. Determine the atomic stereocenter Quantity: 0

12. Uncertain number of atomic stereocenters: 1

13. Determined number of chemical bond stereocenters: 0

14. Uncertain chemical bonds Number of stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

Used in organic synthesis.