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1-Methyl-3-nitro-1-guanidine nitrite

4月 24th, 2024 News

1-methyl-3-nitro-1-guanidine nitrite structural formula

Structural formula

Business number 01G2
Molecular formula C2H5N5O3
Molecular weight 147.09
label

N-methyl-N’-nitro-N-nitrosoguanidine,

Diazomethane precursor,

MNNG,

N-Methyl-N?-nitro-N-nitrosoguanidine,

CH3N(NO)C(=NH)NHNO2

Numbering system

CAS number:70-25-7

MDL number:MFCD00007034

EINECS number:200-730-1

RTECS number:MF4200000

BRN number:1779490

PubChem number:24845846

Physical property data

1. Properties: yellow crystal.

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

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

4. Melting point (ºC): 118? (decomposition)

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

6. Boiling point (ºC, 5.2kPa ): 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. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Soluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 30.06

2. Molar volume (cm3/mol): 83.3

3. Isotonic specific volume (90.2K ): 255.9

4. Surface tension (dyne/cm): 88.8

5. Polarizability (10-24cm3): 11.91

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.2

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 2

6. Topological molecule polar surface area 117

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 170

10. Number of isotope atoms: 0

11. Determine the number of stereocenters of atoms: 0

12. Determine the number of stereocenters of atoms: 0

13. Determine the number of stereocenters of chemical bonds: 1

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 at 0? to avoid light. It can gradually decompose after long-term storage, and may cause an explosion when it decomposes to a certain pressure. Commercially available products often contain 50% water-wetting products.

Synthesis method

None

Purpose

Chemical mutagens and cancer research. ?

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Chlorpromazine

4月 24th, 2024 News

Chlorpromazine structural formula

Structural formula

Business number 013V
Molecular formula C17H19ClN2S
Molecular weight 318.87
label

chlorpromazine,

3-(2-Chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine,

3-(2-Chloro-10H-phenothiazin-10-yl)-N,N-dimethyl-1-propanamine

Numbering system

CAS number:50-53-3

MDL number:None

EINECS number:200-045-8

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character:The hydrochloride is commonly used. White or milky white crystalline powder. Slightly smelly. Extremely bitter


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


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


4. Melting point (ºC):194~198?


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


6. Boiling point (ºC, 5.2 kPa): 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, 25 ºC): Undetermined


12. Saturated vapor pressure (kPa,60 ºC): 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 partition coefficient for water: undetermined


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


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


19. Solubility:Easily soluble in water, ethanol and chloroform, insoluble in ether and benzene


Toxicological data

None

Ecological data

None

Molecular structure data

None

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: 3

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 31.8

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 339

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 is sealed and stored in a dry place away from light.

Synthesis method

By2-Chlorophenothiazine[92-39-7]Condensation and salt formation.1.Condensation in the reaction pot2-Chlorophenothiazine and toluene, then add sodium hydroxide, stir and heat to reflux, remove moisture, and in110?drop1-Chlorine-3-Dimethylamine A toluene solution of propane is used, and the reactant is decompressed to recover toluene to obtain chlorpromazine,C17H19CIN2S,[50-53- 3]. 2. Salt Stir and heat chlorpromazine and isopropyl alcohol until40?, add dry hydrogen chloride topH4-5, to obtain chlorpromazine hydrochloride as a salt.

Purpose

Representative drugs among phenothiazines. It has a stabilizing effect on the central nervous system in small doses, and has an antipsychotic effect when used continuously in large doses. This product inhibits the subthalamic thermoregulatory center, causing the body temperature to rise and fall with the ambient temperature. It can be used with other drugs to reduce the body temperature to below normal body temperature, and improves metabolism. Reducing is called artificial hibernation. Mainly used for antipsychotics, enhancing the effects of hypnotics, anesthetics, analgesics and anticonvulsants. It can also be used to relieve vomiting and intractable hiccups and induce artificial hibernation.

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Ethyl bromopyruvate

4月 24th, 2024 News

Structural formula

Business number 01G1
Molecular formula C5H7BrO3
Molecular weight 195.01
label

Ethyl bromopyruvate,

BrCH2COCOOC2H5

Numbering system

CAS number:70-23-5

MDL number:MFCD00000204

EINECS number:200-729-6

RTECS number:None

BRN number:1760158

PubChem ID:None

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 25/4?): 1.56

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, 1.33kPa): 98? 100

7. Refractive index: 1.4690

8. Flash point (ºC): 98

9. Specific rotation (º): Undetermined

p>

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

19. Solubility: Undetermined.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 34.74

2. Molar volume (cm3/mol): 124.8

3. Isotonic specific volume (90.2K ): 313.0

4. Surface tension (dyne/cm): 39.5

5. Polarizability (10-24cm3): 13.77

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.2

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: 2

6. Topological molecule polar surface area 43.4

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 121

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 with nitrogen and protected from light at 0~4?.Save.

Synthesis method

1. Obtained from ethyl lactate through oxidation and bromination: ethyl lactate, NBS (N-bromododecimide) and tetrachloride Add carbon dioxide into a dry reaction pot and heat to reflux for 5.5 hours while stirring. Cool and filter, evaporate the carbon tetrachloride from the filtrate, distill under reduced pressure, and collect the 71~73°C (0.67kPa) fraction, which is ethyl bromopyruvate.

2. Preparation method:

Into a reaction bottle equipped with a stirrer, thermometer, and reflux condenser, add 66g (0.56mol) of freshly steamed ethyl lactate (2), 900mL of carbon tetrachloride, and 200g of NBS ( 1.14mol), heated to (77±1)°C in a water bath, stirred and refluxed for 5 to 6 hours, until the reaction solution changed from red to orange. Hydrogen bromide gas is released during the reaction. Place in ice-salt bath overnight and filter out succinimide. After the filtrate is distilled under normal pressure to recover carbon tetrachloride, it is distilled under reduced pressure and the fraction at 71~73?/0.67kPa is collected to obtain a yellow transparent liquid ethyl bromopyruvate (1)?56.8g, The yield is 52%. nD251.465?1.4673. Note: ? It has a strong tear-inducing effect. Store it in a refrigerator after being airtight. [1]

Purpose

Organic Synthesis.                      

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