p-methoxyacetophenone

Structural formula of p-methoxyacetophenone

Structural formula

Physical competition number 0154
Molecular formula C9H11NO2
Molecular weight 165.19
label

N-(4-methoxyphenyl)acetamide,

Acetaminophen,

N-(4-Methoxyphenyl)acetamide,

p-Acetanisidide,

Aromatic nitrogen-containing compounds and their derivatives

Numbering system

CAS number:51-66-1

MDL number:MFCD00014963

EINECS number:200-114-2

RTECS number:AE8290000

BRN number:387887

PubChem ID:None

Physical property data

1. Character: off-white crystal

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

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

4. Melting point (ºC): 130-132

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

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

7. Refractive index: Undetermined

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. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Insoluble in Cold water, soluble in hot water, benzene, acetic acid, ethanol and chloroform.

Toxicological data

1. Acute toxicity: mouse oral LD50: 1190mg/kg; rabbit LDLo: 3mg/kg

Ecological data

None

Molecular structure data

1. Molar refractive index: 47.20

2. Molar volume (cm3/mol): 146.5

3. Isotonic specific volume (90.2K): 367.6

4. Surface tension (dyne/cm): 39.6

5. Polarizability (10-24cm3): 18.71

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: 2

5. Number of tautomers: 3

6. Topological molecule polar surface area 38.3

7.???Number of atoms: 12

8. Surface charge: 0

9. Complexity: 151

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. Poisonous. Can irritate skin and mucous membranes. Production equipment should be sealed and the workshop should be well ventilated. Operators should wear protective equipment. If it splashes on skin or eyes, rinse with water immediately.

2. Raw materials and products have certain toxicity, so the production process Pay attention to protection. Production equipment should be sealed to prevent inhalation of dust and contact with skin. The production site should be well ventilated. Operators should wear protective equipment.
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Storage method

1. Store in a cool, dry place and away from light.

Plastic bag lined, iron barrel or wooden barrel outer. Store in a cool, dry and ventilated place. Protect from sun and moisture, and keep away from fire and heat sources. Store and transport according to regulations for toxic chemicals.

2. Use sealed packaging in large-mouth iron drums and store in a ventilated and dry place to prevent moisture and sunlight exposure. Loading, unloading and transportation should be carried out in accordance with the regulations on flammable and toxic substances.

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Synthesis method

It is derived from acetylation of p-methoxyaniline. Method 1: React p-methoxyaniline and acetic acid, steam out the excess acetic acid in the reactant and the water generated by the reaction, and purify the reaction product by vacuum distillation. Raw material consumption quota: p-methoxyaniline 778kg/t. Method 2: Acetylation with acetic anhydride, add p-methoxyaniline into a 1000ml three-necked bottle, add acetic anhydride at 50°C, react at 70°C for 10 minutes, cool, filter, wash with water and dry. The yield is about 95%.

Purpose

Organic Synthesis. It manufactures dispersed navy blue 2GL and maroon-based GP, and is also an intermediate for dye dispersed navy blue HGL and medicine.

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N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-2-naphthylcarboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy  -2-naphthylcarboxamide structural formula

Structural formula

Physical competition number 0254
Molecular formula C19H16ClNO4
Molecular weight 357.79
label

C.I. Ice dye coupling component 12,

Naphthol AS-ITR,

Naphto AS-ITR,

Acco Naf-Sol AS-ITR,

Amanil Naphthol AS-ITR,

Fluorescent dyes

Numbering system

CAS number:92-72-8

MDL number:MFCD00021635

EINECS number:202-182-9

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: light gray or green powder.

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

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

4. Melting point (ºC): 193-194

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

6. Boiling point (ºC, 94.7kpa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined Determined

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

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

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: Easily soluble in acetone, soluble in pyridine , ethanol and benzene, insoluble in sodium carbonate solution. It is a yellow solution with green fluorescence in sulfuric acid; it is a yellow solution in sodium hydroxide. Stable to air.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 98.80

2. Molar volume (cm3/mol): 260.8

3. Isotonic specific volume (90.2K ): 714.9

4. Surface tension (dyne/cm): 56.4

5. Polarizability (10-24cm3): 39.16

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 4.8

2. Hydrogen bond donor?Number of bonds: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 4

5. Tautomers Number: 9

6. Topological molecule polar surface area 67.8

7. Number of heavy atoms: 25

8. Surface charge: 0

9. Complexity: 463

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain Number of atomic stereocenters: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15 .Number of covalent bond units: 1

Properties and stability

Stable to air, dip dyeing temperature is 30ºC and pad dyeing temperature is 90ºC.

Storage method

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

Synthesis method

Using 2,3-acid and 2,4-dimethoxy-5-chloroaniline as raw materials, 2,3-acid is first made into sodium salt in chlorobenzene medium, and then mixed with 2,4-acid in the presence of PCl3 Dimethoxy-5-chloroaniline is condensed, and the finished product is obtained through neutralization, distillation, filtration and drying.

Purpose

Nathophenol AS-ITR is mainly used as a dyeing primer for cotton to dye red. For example, it can be used with red base ITR and red base KL to dye bright pink. High affinity to cotton. It is also used for dyeing viscose fiber, silk, nylon, printing cotton and manufacturing lake pigments.

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DL-4-fluorophenylalanine

DL-4-fluorophenylalanine structural formula

Structural formula

Physical competition number 0153
Molecular formula C9H10FNO2
Molecular weight 183.18
label

4-fluoro-DL-phenylalanine,

3-(4-Fluorophenyl)-DL-alanine,

DL-Phe(p-F),

H-DL-Phe(p-F)-OH

Numbering system

CAS number:51-65-0

MDL number:MFCD00002600

EINECS number:200-113-7

RTECS number:AY6315000

BRN number:29338793

PubChem number:24894885

Physical property data

1. Properties: white crystal.

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

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

4. Melting point (ºC): 263~264? (253~255?) decomposes.

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 Combustion 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. Logarithmic 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 acetic acid and alkali, about 10mg of product can be dissolved in 1ml of water.

Toxicological data

1. Acute toxicity: mouse abdominal cavity LD50: >1mg/kg

4. Mutagenicity: Mutation microorganismsTEST system: Microorganisms – not otherwise specified: 50umol/L; Mutation microorganismsTEST system: mold – Neurospora crassa: 1mg /L; Gene conversion and mitotic recombinationTEST system: yeast-Saccharomyces cerevisiae: 1200ppm; Sex chromosome loss and nondisjunctionTEST system: yeast-Saccharomyces cerevisiae: 1200ppm; Cytogenetic analysisTEST system: Human lymphocytes: 50umol/L; Cytogenetic analysisTEST System: rodent-hamster lung: 550umol/L; DNA inhibitionTEST system: rodent-rabbit kidney: 500umol/L

Ecological data

None

Molecular structure data

1. Molar refractive index: 45.48

2. Molar volume (cm3/mol): 141.6

3. Isotonic specific volume (90.2K): 378.9

4. Surface tension (dyne/cm): 51.2

5. Polarizability (10-24cm3): 18.03

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Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 63.3

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 179

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

None

Storage method

Should be kept sealed.

Synthesis method

None

Purpose

E. coli growth inhibitor. Phenylalanine antagonist. Protein synthesis inhibitor.

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