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3-Hydroxy-N-(2-hydroxyethyl)-2-naphthylcarboxamide

5月 15th, 2024 News

3-hydroxy-N-(2-hydroxyethyl)-2-naphthylcarboxamide structural formula

Structural formula

Business number 0258
Molecular formula C13H13NO3
Molecular weight 231.25
label

2-Hydroxy-3-[(2-hydroxyethyl)carbamoyl]naphthalene spheres,

2-Hydroxy-3-[(2-hydroxyethyl)carbamoyl]naphthalene

Numbering system

CAS number:92-80-8

MDL number:None

EINECS number:202-191-8

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: light yellow to light yellow brown crystals or crystalline powder

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

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

4. Melting point (ºC): 146

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

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

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

p>

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, 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: Slightly soluble in water, soluble in ethanol, acetone

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 65.76

2. Molar volume (cm3/mol): 176.3

3. Isotonic specific volume (90.2K ): 495.7

4. Surface tension (dyne/cm): 62.4

5. Polarizability (10-24cm3): 26.07

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 9

6. Topological molecule polar surface area 69.6

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 269

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. Uncertain Chemistry?Number of 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.

Synthesis method

None

Purpose

Organic Synthesis.

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3-Mercapto-1,2-propanediol

5月 15th, 2024 News

3-mercapto-1,2-propanediol structural formula

Structural formula

Business number 02AV
Molecular formula C3H8O2S
Molecular weight 108.16
label

?-monothioglycerol,

?-thioglycerol,

3-Mercapto-1,2-propanediol,

?-Monothioglycerol,

?-Thioglycerol,

3-Mercapto-1,2-propanediol

Numbering system

CAS number:96-27-5

MDL number:MFCD00004879

EINECS number:202-495-0

RTECS number:TY8140000

BRN number:1732046

PubChem number:24896684

Physical property data

1. Characteristics: Colorless to light yellow transparent viscous liquid with strong hygroscopicity and sulfur smell.


2. Density (g/mL,20?):1.24


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


4. Melting point (ºC): Undetermined


5. Boiling point (ºC,normal pressure):118


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


7. Refractive index:1.527


8. Flashpoint (ºC): 149


9. Bi XuanPhotometric (º): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (mmHg,ºC): Undetermined


12. Saturated vapor pressure (kPa, 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 the partition coefficient (water): undetermined


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


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


19. Solubility:Insoluble in ether, soluble in water, ethanol and acetone.

Toxicological data

1. Acute toxicity: rat intraperitoneal LD50: 390mg/kg; Mouse intraperitoneal LD50: 340mg/kg; Cat intraperitoneal LD50 : 220mg/kg; rabbit intraperitoneally LD50: 250mg/kg;


2, and many others Dose toxicity: Rat skin contact TDLo: 12mg/kg/4W-I;


3, reproductive toxicity


Hamster subcutaneous TDLo: 1925mg/kg ( Male rats 35 days ago to mate);


4? Mutagenicity


E. coli mutation experiment: 2000ppm;

Ecological data

This substance is slightly harmful to water.

Molecular structure data

1. Molar refractive index: 26.87


2. Molar volume?m3/ mol??87.4


3. isotonic ratio?90.2K??234.2


4. surface tension(dyne/cm)?51.3


5. Dielectric constant:


6. Dipole moment?10 -24cm3)?


7. Polarizability:10.65

Compute chemical data

1. Reference value for calculation of hydrophobic parameters (XlogP): -0.8

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 3

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4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 41.5

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 32

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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

AvoidContact air, avoid using Strong oxidizing agent, waterContact.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire, heat and water sources. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Equipped with corresponding varietiesand quantity of fire-fighting equipment. The storage area should be equipped with emergency spill treatment equipment and suitable containment materials.

Synthesis method

None

Purpose

Used as stabilizer and polymerization regulator for acrylonitrile polymers; modifier for reactive fuels; sensitizer raw material for photosensitive coatings; polymerization regulator for epoxy resin coatings; environmental protection Catalyst for oxyamine resin; stabilizer for chlorine-containing polymers, etc.

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isonicotinic acid

5月 15th, 2024 News

Isonicotinic acid structural formula

Structural formula

Business number 016S
Molecular formula C6H5NO2
Molecular weight 123
label

Heterocyclic compounds

Numbering system

CAS number:55-22-1

MDL number:MFCD00006429

EINECS number:200-228-2

RTECS number:NS1103000

BRN number:109599

PubChem number:24881074

Physical property data

1. Properties: White flaky crystals. Odorless. Can sublime (260?, 2.00kPa).

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

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

4. Melting point (ºC): 319

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

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

19. Solubility: Slightly soluble in cold water, more soluble in heat Water, almost insoluble in benzene, ether and boiling ethanol.

Toxicological data

1. Acute toxicity: rat oral LD50: 5mg/kg; mouse oral LD50: 3123mg/kg; mouse abdominal LD50: 436mg/kg; mouse intravenous LD50: 5mg/kg

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 31.27

2. Molar volume (cm3/mol): 95.1

3. Isotonic specific volume (90.2K): 263.5

4. Surface tension (dyne/cm): 58.7

5. Polarizability (10-24cm3): 12.39

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 0.4

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 50.2

7. HeavyNumber of atoms: 9

8, Surface charge: 0

9, Complexity: 108

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

Low toxicity, rats take LD505000mg/kg orally, mice take LD503123mg/kg orally.
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Storage method

This product should be sealed and stored in a dry place below 0? and protected from light.

Packed in clean iron drums and stored in a cool, ventilated place. Store and transport according to general chemical regulations

Synthesis method

Use 4-methyl It is produced by continuous oxidation of pyridine as raw material and vanadium pentoxide as catalyst. The purity of industrial product isonicotinic acid is 95%, and the yield of the above method is 70-75% . Each ton of product consumes4-methylpyridine1070kg.

Purpose

This product is a pharmaceutical intermediate. Mainly used to prepare isoniazid (remifen).

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