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p-Methoxyphenylethylamine

5月 17th, 2024 News

Structural formula of p-methoxyphenylethylamine

Structural formula

Business number 0170
Molecular formula C9H13NO
Molecular weight 151.21
label

2-(4-methoxyphenyl)ethylamine,

4-Methoxyphenethylamine

Numbering system

CAS number:55-81-2

MDL number:MFCD00008192

EINECS number:200-245-5

RTECS number:SH7875000

BRN number:508967

PubChem number:24883850

Physical property data

1. Character: Colorless liquid.


2. Density (g/mL,25/4?):1.031


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


4. Melting point (ºC): Undetermined


5. Boiling point (ºC,Normal pressure):249?251


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


7. Refractive index:1.534


8. Flash Point (ºC):72


9. Specific optical rotation (º): Undetermined


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


11. Vapor pressure (kPa,25ºC)???OK


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/Logarial value of partition coefficient for water: undetermined


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


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


19. Solubility:Soluble in water ( 20??21g/L).

Toxicological data

1, acute toxicity: mouse abdominal cavity LD50: 100mg/kg

Ecological data

None

Molecular structure data

5. Molecular property data:


1. Molar refractive index:46.01


2. Molar Volume (m3/mol??149.9


3. isotonic specific volume (90.2K):369.5


4. Surface Tension (dyne/cm):36.9


5. Polarizability?10-24cm3):18.24

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: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 35.2

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 97.7

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. DetermineNumber of stereocenters of chemical bonds: 0

14. Number of stereocenters of uncertain chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored with argon gas.

Synthesis method

None

Purpose

Organic synthesis.

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6-amino-2-naphthalenesulfonic acid

5月 17th, 2024 News

6-amino-2-naphthalenesulfonic acid structural formula

Structural formula

Business number 025K
Molecular formula C10H9NO3S
Molecular weight 223.25
label

2-Naphthylamine-6-sulfonic acid,

broronic acid,

6-amino-2-naphthalenesulfonic acid hydrate,

6-amine-2-naphthalenesulfonic acid,

6-Aminonaphthalene-2-sulphonic acid,

2-Naphthylamine-6-sulfonic acid monohydrate

Numbering system

CAS number:93-00-5

MDL number:None

EINECS number:202-208-9

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: Colorless needle-like crystals.

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

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

4. Melting point (ºC): Not determined

5. Boiling point (ºC, normal pressure): Not determined

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

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. Saturation 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: Dissolved in 7790 parts of cold water at 20°C. Dissolved in 630 parts of boiling water, its aqueous solution (or sodium salt) shows blue fluorescence.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 58.27

2. Molar volume (cm3/mol): 148.6

3. Isotonic specific volume (90.2K ): 433.1

4. Surface tension (dyne/cm): 72.1

5. Polarizability (10-24cm3): 23.10

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): -0.1

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors.??: 4

4. Number of rotatable chemical bonds: 1

5. Number of tautomers:

6. Topological molecule polar surface area ( TPSA): 80.4

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 322

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13. The number of determined stereocenters of chemical bonds: 0

14. The number of uncertain stereocenters of chemical bonds: 0

15. The number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

1. Using naphthol as raw material, it is prepared by aminosulfonation. The amination reaction temperature is 100~190?, and the sulfonation temperature is 160~190?. The generated 2-naphthylamine-6-sulfonic acid and 2-Naphthylamine-7-sulfonic acid is separated by salting out to obtain 2-naphthylamine-6-sulfonic acid.

2. Using Schiff’s acid as raw material, it is obtained through Bucherer reaction.

Purpose

Dye intermediates. It is a naphthalene dye intermediate used in the manufacture of acidic, direct and mordant azo dyes, etc.

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p-terphenyl

5月 16th, 2024 News

Structural formula of p-terphenyl

Structural formula

Business number 025J
Molecular formula C18H14
Molecular weight 230.3
label

To terphenyl,

diphenylbenzene,

terphenyl,

1,4-diphenylbenzene,

4-phenylbiphenyl,

p-diphenylbenzene,

p-terphenyl,

4-Phenyldiphenyl,

p-Triphenyl,

4-Terphenyl,

PTP

Numbering system

CAS number:92-94-4

MDL number:MFCD00003061

EINECS number:202-205-2

RTECS number:WZ6475000

BRN number:1908447

PubChem number:24869419

Physical property data

1. Character: white scaly crystal

2. Relative density (25?, 4?): 0.8790 315.6

3. Relative density (20?, 4?): 1.06

6. Boiling point (ºC, 6kPa): 250

7. Standard heat of combustion (enthalpy) of crystalline phase (kJ·mol-1): -9246.7

8. Flash point (ºC): 207

9. Critical temperature (K): 634.85

10. Critical pressure (MPa): 2.99

11. Critical density (g·cm-3): 0.316

12. Critical volume (cm3·mol -1): 729

13. Critical compression factor: 0.289

14. Eccentricity factor: 0.528

15. Gas phase standard Heat of combustion (enthalpy) (kJ·mol-1): -9362.6

16. The gas phase standard claims heat (enthalpy) (kJ·mol-1): 278.7

17. Crystal phase standard claims heat (enthalpy) (kJ·mol-1): 162.8

18. Solubility: soluble It is slightly soluble in ether and carbon disulfide, extremely insoluble in ethanol and acetic acid.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 75.43

2. Molar volume (cm3/mol): 220.0

3. Isotonic specific volume (90.2K ): 553.9

4. Surface tension (dyne/cm): 40.2

5. Dielectric constant (F/m): 2.85

6. Extreme conversion rate (10-24cm3): 29.90

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: 0

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 198

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 away from light.

Synthesis method

(1) Acetaminophenyl is obtained by nitration, reduction, and acetylation of biphenyl, and then reacts with dinitrogen trioxide to obtain N-nitrosoacetaminobiphenyl, which is then reacted with benzene. This method has a long process route, cumbersome and complicated operations, low yield (only 8%), high cost, low product quality, and serious equipment corrosion.

(2) It is obtained by separating polyphenylene. Among the by-products of biphenyl production, there are p-diphenylbenzene, o-diphenylbenzene, m-diphenylbenzene, m-triphenylbenzene and other biphenyls. According to their different melting points, boiling points and solubility, they can be produced by sublimation and washing methods.

Purpose

Mainly used as a scintillator, used in the production of plastic particles and plastic flakes, or in the preparation of biphenyl liquid crystals One of the basic intermediates of materials, it is also the basic raw material for the synthesis of antibacterial cyclic peptide (4-carboxy-terphenyl, CTP). 4,4-dicarboxyterphenyl (DCTP) can also be prepared, which is the main raw material for preparing biphenyl polyamide materials.

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