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Sulfaguanidine

6月 7th, 2024 News

Sulfaguanidine Structural Formula

Structural formula

Business number 018X
Molecular formula C7H10N4O2S
Molecular weight 214.24
label

Para-aminobenzenesulfonylguanidine,

4-Amino-N-(aminoiminomethyl)benzenesulfonamide,

4-Amino-N-guanylbenzenesulfonamide

Numbering system

CAS number:57-67-0

MDL number:MFCD00038136

EINECS number:200-345-9

RTECS number:WO8575000

BRN number:2695326

PubChem ID:None

Physical property data

1. Characteristics: white needle-like crystals sex powder.


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


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


4. Melting point ( ºC): 190~193


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


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


7. Refractive Index: Undetermined


8. Flashpoint (ºC): Undetermined


9. Specific optical rotation (º): Undetermined


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


11. Vapor pressure (kPa,25ºC): Undetermined


12. Saturation 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/Water) partition coefficient pair Value: Undetermined


17. Explosion limit (%,V/V): Not OK


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


19. Solubility: Odorless or Virtually odorless. Tasteless. Gradient color when exposed to light. Easily soluble in dilute mineral acid, slightly soluble in ethanol and acetone,25 ?,1gProduct dissolves in approx.1000mlcold water,10mlBoiling water. Insoluble in sodium hydroxide solution at room temperature.

Toxicological data

1, acute toxicity: mice oral LD: >20mg/kg; mouse intravenous LDLo: 500mg/kg
2, reproductive toxicity: female rats Oral TDLo: 22500ug/kg, 1-15 days after conception; male Rat oral TDLo: 5880mg/kg, 6 weeks before mating

Ecological data

None

Molecular structure data

5. Molecular property data:


1. ?? Er refractive index: 50.80


2. Molar volume (m3/mol??132.1


3. isotonic specific volume (90.2K):392.1


4. Surface Tension (dyne/cm):77.6


5. Polarizability(10-24cm3):20.14

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.7

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 2

6. Topological molecule polar surface area 133

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 307

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

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

Synthesis method


Sulfonamide and guanidine nitrate are condensed.


Purpose

Biochemical research. Medicine (antibacterials).

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probenecid

6月 7th, 2024 News

Probenecid Structural Formula

Structural formula

Business number 018W
Molecular formula C13H19NO4S
Molecular weight 285.36
label

p-(dipropylsulfamic acid) benzoic acid,

p-(Dipropylsulfamoyl)benzoic acid

Numbering system

CAS number:57-66-9

MDL number:MFCD00038402

EINECS number:200-344-3

RTECS number:DG9400000

BRN number:None

PubChem number:24898976

Physical property data

1. Appearance: white crystalline powder .


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


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


4. Melting point ( ºC): 194-196


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


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


7. Refractive Index: Undetermined


8. Flashpoint (ºC): Undetermined


9. Specific optical rotation (º): Undetermined


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


11. Vapor pressure (kPa,25ºC): Undetermined


12. Saturation vapor pressure (kPa,60ºC): Undetermined


13. heat of combustion (KJ/mol): Not OK


14. Critical temperature (ºC): Undetermined


15. Critical Pressure (KPa): Undetermined


16. Oil and water (octanol/Water) partition coefficient pair Value: Undetermined


17. Explosion limit (%,V/V): Not OK


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


19. Solubility: soluble in acetone , slightly soluble in ethanol or chloroform, almost insoluble in water. Soluble in dilute sodium hydroxide solution, almost insoluble in dilute acid. Odorless, slightly bitter taste.

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 73.50


2. Molar volume (m3/mol??233.5


3. isotonic specific volume (90.2K):610.4


4. Surface Tension (dyne/cm):46.7


5. Polarizability(10-24cm3):29.14


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: 5

4. Number of rotatable chemical bonds: 7

5. Number of tautomers: none

6. Topological molecule polar surface area 83.1

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 374

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

This product should be sealed in4 Store dry at ?.

Synthesis method

p-Toluenesulfonamide is oxidized to p-carboxybenzenesulfonamide by sodium dichromate, and then used bromopropane Alkylation reaction, the resulting probenecid sodium is acidified with acetic acid to obtain probenecid.

Purpose

Anti-gout drugs. This product is an organic acid with strong fat solubility. It is excreted from the renal tubules and is easily absorbed back into the body. Therefore, in the presence of propanesulfonate, the operation of certain organic acids in the body’s renal tubules will be inhibited, reducing the excretion of other organic acids. Therefore, it is safe and effective for the treatment of chronic gout. It has no effect on the pain and inflammation of acute gout and is not suitable for acute gout.

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Bromochloroform

6月 7th, 2024 News

Structural formula of bromochloroform

Structural formula

Business number 01JW
Molecular formula BrCCl3
Molecular weight 198.27
label

Trichloromethyl bromide,

Trichlorobromomethane,

Bromochloroform,

Bromochloroform,

Bromochloroform,

Bromochloroform,

Carbon bromotrichloride,

Carbon trichlorobromide,

Monobromotrichloromethane,

Photobromination reagent

Numbering system

CAS number:75-62-7

MDL number:MFCD00000783

EINECS number:200-886-0

RTECS number:PA5400000

BRN number:1732543

PubChem number:24892061

Physical property data

1. Properties: Colorless, clear and heavy liquid. Chloroform-like odor. Sensitive to light.

2. Density (g/mL, 25/4?): 1.9981

3. Relative density (20?, 4?): 2.0122

4 . Melting point (ºC): -5.6

5. Boiling point (ºC, normal pressure): 104.7

6. Refractive index at room temperature (n20): 1.5063

7. Refractive index: 1.5051

8. Liquid phase standard hot melt (J·mol-1·K-1): 130.7

9. Gas phase standard claimed heat (enthalpy) (kJ·mol-1): -38.9

10. Gas phase standard entropy (J·mol-1·K-1): 333.03

11. Gas phase standard free energy of formation (kJ·mol-1 ): -14.0

12. Gas phase standard hot melt (J·mol-1·K-1): 85.31 p>

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined Determined

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: Miscible with most organic solvents.

Toxicological data

Rat caliber LD50: 100mg/kg

Rat abdominal cavity LD50: 119mg/kg

2. Teratogenicity

Salmonella: 10ug/plate

Hamster lung: 50 umol/L

Mammal: 1m mol/L

Ecological data

None

Molecular structure data

1. Molar refractive index: 28.92

2. Molar volume (cm3/mol): 92.4

3. Isotonic specific volume (90.2K): 234.4

4. Surface tension (dyne/cm): 41.4

5. Polarizability (10-24cm3): 11.46

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.9

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 5

8. Surface charge: 0

9. Complexity: 28.4

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. Can cause liver poisoning in humans.

Storage method

This product should be sealed and stored away from light.

Synthesis method

1. Reflux anhydrous aluminum tribromide and dry carbon tetrachloride together to obtain bromotrichloromethane (yield 51.4%), with dibromodichloromethane as a by-product.

2. Preparation method:

p>

In a reaction bottle equipped with a stirrer and a reflux condenser, add 168.5g of anhydrous aluminum bromide and 940 carbon tetrachloride. Heat to reflux with stirring for 45 minutes. After cooling, filter. The filtrate was washed with 5% sodium carbonate solution and then washed twice with water. Anhydrous calcium chloride drying. Fractional distillation, first evaporate about 480 mL of carbon tetrachloride, and then obtain about 8 g of dibromodichloromethane. Finally, collect 102-106°C to obtain 193 g of compound (1), with a yield of 51.4%. [1]

Purpose

1. Used in organic synthesis. Pesticide preparation.

2.As a solvent for Hunsdiecker reaction. Reagents that react with butyl files to produce dichlorocarbene and photobromination reagents. The aryl methyl group is olfactory and the methoxy group and chlorine group on the aromatic ring are not affected.

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