Trifluorothymidine

Trifluorothymidine structural formula

Structural formula

Business number 01FY
Molecular formula C10H11F3N2O5
Molecular weight 296.2
label

Trifluorothymidine,

Trifluorothymidine,

5-trifluoromethyl-2-deoxyuridine,

Trifluridine,

Trifluoside,

Trifluridine,

Trifluridine,

5-Trifluoromethyl-2′-deoxyuridine,

2′-Deoxy-5-(trifluoromethyl)uridine,

5-Trifluoro-2′-deoxythymidine

Numbering system

CAS number:70-00-8

MDL number:MFCD00006534

EINECS number:200-722-8

RTECS number:XP2087500

BRN number:None

PubChem number:24900027

Physical property data

1. Properties: Crystal. 2. Density (g/mL, 25/4?): Uncertain

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

4. Melting point (ºC): 186-1895 .       Boiling point (ºC, normal pressure): Uncertain

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

7.      Refractive index: 50 ° (C=1, H2O)

8. Flash point (ºC): Uncertain

9. Specific rotation (º): Uncertain

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

11. Vapor pressure (kPa, 25ºC): Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

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

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

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

18. Explosion Lower limit (%, V/V): Uncertain

19. Solubility: Uncertain

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 55.92

2. Molar volume (cm3/mol): 179.8

3. Isotonic specific volume (90.2K ): 492.2

4. Surface tension (dyne/cm): 56.1

5. Polarizability (10-24cm3): 22.17

Compute chemical data

1. Hydrophobic parameter calculation??Reference value (XlogP): -0.5

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 8

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: 20

8. Surface charge: 0

9. Complexity: 464

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 3

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored dry and below 0?.

Synthesis method

None

Purpose

Biochemical research. medicine. ?

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DL-?-Phenylserine

DL-?-phenylserine structural formula

Structural formula

Business number 01FX
Molecular formula C9H11NO3
Molecular weight 181.19
label

3-Phenylserine monohydrate,

beta-hydroxy-3-phenyl-DL-alanine

Numbering system

CAS number:69-96-5

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character: white or light gray crystal.

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

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

4. Melting point (ºC): 202~208? (decomposition)

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

6. Boiling point (ºC, normal pressure) 5.2kPa): 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 (kPa, 25ºC): Not determined

12. Saturated vapor pressure (kPa, 60ºC): 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: Slightly soluble in water , difficult to dissolve in ethanol and ether.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 47.03

2. Molar volume (cm3/mol): 135.6

3. Isotonic specific volume (90.2K ): 387.2

4. Surface tension (dyne/cm): 66.3

5. Polarizability (10-24cm3): 18.64

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -2.5

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

p>

4. Number of rotatable chemical bonds: 3

5. Topological molecular polar surface area (TPSA): 83.6

6. Number of heavy atoms: 13

7. Surface charge: 0

8. Complexity: 178

9. Number of isotope atoms: 0

10. Determine the atomic stereocenter Quantity: 0

11,  The number of uncertain atomic stereocenters: 2

12. The number of determined chemical bond stereocenters: 0

13. The number of uncertain chemical bond stereocenters: 0

14. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be kept sealed.

Synthesis method

None

Purpose

Biochemical research. Bacterial growth inhibitor. ?

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Estradiol benzoate

Estradiol benzoate structural formula

Structural formula

Business number 013T
Molecular formula C25H28O3
Molecular weight 376.49
label

1,3,5(10)-Estrane-3,17?-diol-3-benzoate,

Estradiol benzoate,

3-hydroxyestradiol-1,3,5(10)-triene-17?-ol-3-benzoate,

Rifampicin N-oxide,

17?-benzoic acid 3-estradiol,

Estradiol 3-benzoate,

?-Estradiol benzoate,

Estradiol benzoate,

Estra-1,3,5(10)-triene-3,17?-diol 3-benzoate

Numbering system

CAS number:50-50-0

MDL number:MFCD00003692

EINECS number:200-043-7

RTECS number:KG4050000

BRN number:3107526

PubChem number:24894677

Physical property data

1. Properties: White or slightly yellow crystalline powder, odorless

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

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

4. Melting point (ºC): 191-198°C

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

6.?<SPAN style="FONT-SIZE: 9pt; FONT-FAMILY: Song Dynasty; mso-bi

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 109.26

2. Molar volume (cm3/mol): 317.6

3. Isotonic specific volume (90.2K ): 837.8

4. Surface tension (dyne/cm): 48.4

5. Polarizability (10-24cm3): 43.31

Compute chemical data

None

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None

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