Phenothiazine

Phenothiazine structural formula

Structural formula

Business number 025B
Molecular formula C12H9NS
Molecular weight 199.27
label

Sulfur-containing nitrogen (hetero)anthracene,

10H-phenothiazine,

Thiazaanthracene,

diphenylamine sulfide,

Thiazaanthracene,

Dibenzo-1,4-thiazine,

Thiodiphenolamine,

Thiodiphenylamine,

Longxiang rice,

10H-Phenothiazin,

Polymerization inhibitor,

pesticides,

Heterocyclic compounds

Numbering system

CAS number:92-84-2

MDL number:MFCD00005015

EINECS number:202-196-5

RTECS number:SN5075000

BRN number:143237

PubChem number:24859973

Physical property data

1. Appearance: yellow to green powder or flake crystal

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

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

4. Melting point (ºC): 185.5?185.9

5. Boiling point (ºC, normal pressure): 310~312? (sublimation at 315?)

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

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Spontaneous combustion Point or ignition temperature (ºC): Not determined

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

12. Saturated vapor pressure (kPa, 60ºC): Not determined

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

p>

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

19. Solubility: Soluble in ether, benzene, acetic acid, chloroform and petroleum, slightly soluble in ethanol, insoluble in water.

Toxicological data

Irritating to eyes, skin, mucous membranes and upper respiratory tract.

Ecological data

None

Molecular structure?Data

1. Molar refractive index: 60.69

2. Molar volume (cm3/mol): 161.5

3. Isotonic specific volume (90.2K ): 435.0

4. Surface tension (dyne/cm): 52.5

5. Polarizability (10-24cm3): 24.06

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: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 187

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 easy to oxidize and become darker when stored in the air for a long time, and has sublimation properties. It has a slight odor and is irritating to the skin. Combustible in case of open flame or high heat.

2.Toxic, especially incompletely refined products mixed with diphenylamine, which can be toxic if ingested or inhaled. This product can be absorbed by the skin, causing skin allergies, dermatitis, discoloration of hair and nails, inflammation of the conjunctiva and cornea. It can also stimulate the gastrointestinal tract, damage the kidneys and liver, and cause hemolytic anemia, abdominal pain, and tachycardia. Operators should wear protective equipment. Those who accidentally take it should have their stomach lavaged immediately and get medical treatment.

Storage method

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

Packed in 20kg lined plastic bags, outer woven bags or plastic barrels. Store in a cool, dry and ventilated warehouse. Keep away from moisture and water, sun protection, and away from fire and heat sources. When transporting, load and unload gently to prevent damage to the packaging.

Synthesis method

1. Add diphenylamine, iodine tablets and sulfur into the reaction kettle in sequence, heat with induction for about 4 hours, and raise the temperature to 200 Around ?. Stir for 2 hours to carry out the vulcanization reaction, then directly heat to 220-250°C with superheated steam. At the same time, blow the reaction product phenothiazine to the receiver, then discharge it to the suction filter, and drain the water under vacuum. The filter cake is washed with a mixture of alcohol and hexamethylenetetramine (mass ratio 1.5:1), dried with hot air, and then crushed to obtain the finished product. The hydrogen sulfide produced during the reaction can be absorbed by sodium hydroxide. The purity of the obtained product is 94% to 97%. The product can be further refined by ethanol recrystallization and activated carbon decolorization.

2.Raise the temperature of diphenylamine, sulfonate and sulfur and stir to carry out vulcanization reaction. The moisture of the reaction product phenothiazine was drained under vacuum. The filter cake is washed with a mixture of alcohol and hexamethylenetetramine, dried with hot air, and then crushed to obtain the finished product. The purity of the obtained product is 94% to 97%. It can be further refined using ethanol recrystallization and activated carbon decolorization.

Purpose

1. Phenothiazine is an intermediate for fine chemicals such as drugs and dyes. It itself is an additive for synthetic materials (for the production of vinylon polymerization inhibitors), fruit tree pesticides and veterinary anthelmintics. It has significant effects on gastric worms, nodules, stomatozoal nematodes, Charyx nematodes in cattle, sheep and horses, and thin neck nematodes in sheep. It is used as a polymerization inhibitor for vinyl acetate and vinylon production, and as an additive for synthetic materials such as rubber antioxidants. It is also used in the synthesis of medicines and dyes, as well as anthelmintics for livestock and insecticides for fruit trees. 2.This product is for Used as polymerization inhibitor for vinyl acetate and vinylon production, and as additive for rubber antioxidant and other synthetic materials. It is also used in the synthesis of medicines and dyes, as well as anthelmintics for livestock and insecticides for fruit trees.

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Methyl bromoacetate

Structural formula of methyl bromoacetate

Structural formula

Business number 02AY
Molecular formula C3H5BrO2
Molecular weight 152.97
label

Methyl bromoacetate,

Bromo acetic acid methyl ester,

pesticides,

Mildew remover solvent,

Aliphatic carboxylic acids and their derivatives

Numbering system

CAS number:96-32-2

MDL number:MFCD00000189

EINECS number:202-499-2

RTECS number:AF6300000

BRN number:506256

PubChem number:24850306

Physical property data

1. Properties: colorless to yellow liquid, hygroscopic. [1]

2. Melting point (?): -50[2]

3. Boiling point (?): 145~146.7[3]

4. Relative density (water=1): 1.635 (20?)[4]

5. Saturated vapor pressure (kPa): 2.00 (51?)[5]

6. Octanol/water partition coefficient: 0.72[6]

7. Flash point (?): 62.8[7]

8. Solubility: insoluble in water, soluble in methanol and ether . [8]

Toxicological data

1. Acute toxicity: Intravenous injection of LCL0 into mice: 15800?g/kg;

2. It is strongly irritating to the eyes, mucous membranes or skin, has tear-inducing properties in the eyes, and can cause severe burns. It is easy to be absorbed through the skin if it touches the skin, or it may cause poisoning if accidentally ingested or inhaled vapor or dust. The maximum allowable concentration in the air is 100mg/m3.

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 25.45

2. Molar volume (cm3/mol): 94.7

3. Isotonic specific volume (90.2K ): 228.3

4. Surface tension (dyne/cm): 33.7

5. Dielectric constant:

6. Dipole moment (10-24cm3):

7. Polarizability: 10.09

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.9

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:

6. Topological molecular polar surface area (TPSA): 26.3

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 52.8

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 Number: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Decomposition by heat releases toxic gases. Can burn when exposed to open fire.

2. Stability[9] Stable

3. Incompatible substances[10] Acids, alkalis, strong oxidants, strong reducing agents

4. Avoid contact? Conditions[11] Heating

5. Polymerization hazard[12] No polymerization p>

6. Decomposition products[13] Hydrogen bromide

Storage method

Storage Precautions[14] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 30°C and the relative humidity should not exceed 70%. Keep container tightly sealed. They should be stored separately from oxidants, reducing agents, acids, alkalis, and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency spill treatment equipment and suitable containment materials.

Synthesis method

1. Obtained from bromination of acetic acid and then esterification with methanol. Add glacial acetic acid, acetic anhydride, red phosphorus and several pieces of zeolite into the dry reactor, heat to reflux, and when the temperature rises to 60-70°C, start slowly adding bromine dropwise, and keep it warm for about 1 hour after the addition. Cool and filter, then distill under reduced pressure to obtain bromoacetic acid. Add bromoacetic acid and methanol to carbon tetrachloride, then add sulfuric acid, heat to reflux and dehydrate. After dehydration is completed, steam out the carbon tetrachloride, then add methanol and reflux for 1 hour to recover the methanol. The residue is washed, dried and decompressed. Distillation, that is, the finished product is obtained.

2. In a dry place A condenser, thermometer, separatory funnel, etc. are installed on the flask. Add glacial acetic acid, acetic anhydride, red phosphorus and a few pieces of zeolite, and then reflux on the sand bath. When the temperature reaches 60~70°C, start slowly dripping bromine from the separatory funnel. After adding, keep it warm for 30~60 minutes. Cool and filter, then distill under reduced pressure to obtain bromoacetic acid. Mix carbon tetrachloride, bromoacetic acid, methanol, and sulfuric acid on a sand bath and reflux and dehydrate. After dehydration is completed, the carbon tetrachloride is evaporated, and then methanol is added and refluxed for 1 hour. The methanol is recovered. After the residue is washed and dried, reduce the Pressure distillation to obtain the finished product. The process reaction formula is:

Purpose

Used in the synthesis of herbicides, and also used as intermediates in the manufacture of dyes and pharmaceuticals. [15]

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Atropine sulfate

Atropine sulfate structural formula

Structural formula

Business number 016V
Molecular formula C34H48N2O10S
Molecular weight 676.8
label

(8-Methyl-8-azabicyclo[3.2.1]oct-3-yl) 3-hydroxy-2-phenyl-propionate sulfate,

Atropine sulfate,

Atropine sulfate

Numbering system

CAS number:55-48-1

MDL number:None

EINECS number:200-235-0

RTECS number:None

BRN number:None

PubChem number:24860195

Physical property data

1. Characteristics: colorless crystal or White crystalline powder. Odorless. Very bitter taste. Weather in dry air. Highly toxic.


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


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


4. Melting point (ºC): Undetermined


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


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


7. Refractive index: Undetermined


8. Flashpoint (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. Oil and water (octanol/Log value of the partition coefficient (water): undetermined


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


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


19. Solubility: 1g Dissolved in 0.4ml water , 2.5mlboiling ethanol, 5mlethanol, 2.5mlglycerol, 420mlchloroform, 3000mlether.

Toxicological data

None

Ecological data

None

Molecular structure data

None

Compute chemical data

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


2. Number of hydrogen bond donors: 4


3. Number of hydrogen bond acceptors: 12


4. Number of rotatable chemical bonds: 10


5. Number of tautomers:


6. Topological molecular polar surface area (TPSA):174


7. Number of heavy atoms: 47


8. Surface charge: 0


9. Complexity: 434


10. Number of isotope atoms: 0


11. Determine the number of atomic stereocenters: 0


12. The number of uncertain atomic stereocenters: 6


13. Determine the number of stereocenters of chemical bonds: 0


14. Uncertain number of chemical bond stereocenters: 0


15. Number of covalent bond units: 3

Properties and stability

None

Storage method

Save in sealed and protected form.

Synthesis method

None

Purpose

Biochemical research. Used for post-holiday anticholinergic drugs; visceral colic and rescue of infection, toxic shock and organophosphorus pesticide poisoning.

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