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Ethylene benzoate

4月 25th, 2024 News

Ethylene benzoate structural formula

Structural formula

Business number 027S
Molecular formula C16H14O4
Molecular weight 270.28
label

1,2-Bis(benzoyloxy)ethane,

Glycol Dibenzoate

Numbering system

CAS number:94-49-5

MDL number:None

EINECS number:202-338-6

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: Undetermined

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

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

4. Melting point (ºC): 70

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

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

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation ( º): Not determined

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

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

12. Saturated vapor pressure (kPa, ºC): Undetermined

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

14. Critical temperature (ºC): Undetermined Determined

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: Undetermined

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Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 74.00

2. Molar volume (cm3/mol): 226.1

3. Isotonic specific volume (90.2K ): 592.0

4. Surface tension (dyne/cm): 47.0

5. Polarizability (10-24cm3): 29.33

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: 4

4. Number of rotatable chemical bonds: 7

5. Number of tautomers: none

6. Topological molecule polar surface area 52.6

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 282

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

None

Synthesis method

??None

Purpose

None

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Thymidine

4月 25th, 2024 News

Thymidine structural formula

Structural formula

Business number 014A
Molecular formula C10H14N2O5
Molecular weight 242.23
label

?-Thymidine,

2′-deoxythymidine,

?-Thymidine,

1-(2-Deoxy-?-D-ribofuranosyl)-5-methyluracil,

1-(2-Deoxy-?-D-ribofuranosyl)thymine,

2′-Deoxythymidine,

dT,

Thymine deoxyriboside,

For nucleic acid synthesis

Numbering system

CAS number:50-89-5

MDL number:MFCD00006537

EINECS number:200-070-4

RTECS number:XP2071000

BRN number:89285

PubChem number:24899996

Physical property data

1. Properties: white needle-like crystalline powder.

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

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

4. Melting point (ºC): 185

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): [?] D25 +30.6° (C?1.029)

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. Oil and water (octanol /water) logarithmic value of the distribution coefficient: Undetermined

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

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

19. Solubility: Soluble in water, methanol, hot ethanol, hot acetone, hot ethyl acetate, pyridine and glacial acetic acid, slightly soluble in hot chloroform.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 55.84

2. Molar volume (cm3/mol): 89.2

3. Isotonic specific volume (90.2K ): 166.7

4. Surface tension (dyne/cm): 62.2

5. Polarizability (10-24cm3): 22.13

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): -1.2

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 5

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4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 3

6. Topological molecular polar surface area (TPSA): 99.1

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 381

10. Isotopic atoms Quantity: 0

11. Determine the number of atomic stereocenters: 3

12. Uncertain number of atomic stereocenters: 0

13. Determine chemical bond positions Number of 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 kept sealed and dry.

Synthesis method

None

Purpose

Used as pharmaceutical intermediates for the synthesis of antiviral and anti-HIV drugs

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4-methylsalicylic acid

4月 25th, 2024 News

4-methylsalicylic acid structural formula

Structural formula

Business number 0149
Molecular formula C8H8O3
Molecular weight 152.15
label

2-Hydroxy-4-methylbenzoic acid,

4-Mesalic acid,

2-Hydroxy-4-methylbenzoic acid,

m-Cresotic acid,

CH3C6H3(OH)CO2H

Numbering system

CAS number:50-85-1

MDL number:MFCD00002454

EINECS number:200-068-3

RTECS number:GP3920100

BRN number:2208140

PubChem number:24854681

Physical property data

1. Properties: White leaf-like crystals. Can evaporate with water vapor at the same time.

2. Density (g/mL, 15?): Undetermined

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

4. Melting point (ºC): 152

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

6. Refractive index: Undetermined

7. Flash point (ºC): Not determined

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

9. Specific rotation (º): Not determined

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

11. Saturated vapor pressure (kPa, 60ºC): Undetermined

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

13. Critical temperature (ºC): Undetermined

14. Critical pressure (KPa): Undetermined

15. The logarithmic value of the oil-water (octanol/water) distribution coefficient: Undetermined

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

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

18. Solubility: Easily soluble in hot water, soluble in ethanol, ether, chloroform and alkali hydroxide solution, slightly soluble in cold water.

Toxicological data

1. Acute toxicity: Mouse oral LD50: 1800mg/kg

Ecological data

None

Molecular structure data

1. Molar refractive index: 39.88

2. Molar volume (cm3/mol): 116.6

3. Isotonic specific volume (90.2K ): 322.0

4. Surface tension (dyne/cm): 58.0

5. Polarizability (10-24cm3): 15.81

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 3

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 12

6. Topological molecular polarity tableArea (TPSA): 57.5

7, Number of heavy atoms: 11

8, Surface charge: 0

9, Complexity: 155

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

This product should be sealed and stored away from light.

Synthesis method

None

Purpose

Research on inhibiting plant growth. Dye intermediates.

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