5,5-biphenyl hydantoin

5,5-biphenylhydantoin structural formula

Structural formula

Business number 018L
Molecular formula C15H12N2O2
Molecular weight 252.27
label

Phenytoin,

5,5-Diphenyl-2,4-imidazolidinedione,

Phenytoin

Numbering system

CAS number:57-41-0

MDL number:MFCD00005264

EINECS number:200-328-6

RTECS number:MU1050000

BRN number:384532

PubChem number:24278370

Physical property data

None

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 69.58

2. Molar volume (cm3/mol): 200.5

3. Isotonic specific volume (90.2K ): 531.3

4. Surface tension (dyne/cm): 49.2

5. Polarizability (10-24cm3): 27.58

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: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 5

6. Topological molecule polar surface area 58.2

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 350

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

None

Purpose

Organic Synthesis. Antiepileptic, anticonvulsant drugs. ?

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2-Methoxyphenylacetic acid

2-methoxyphenylacetic acid structural formula

Structural formula

Business number 0261
Molecular formula C9H10O3
Molecular weight 166.17
label

o-Methoxyphenylacetic acid,

2-Methoxyphenylacetic acid,

o-Methoxyphenylessigs?ure,

Ortho methoxy phenyl acetic acid

Numbering system

CAS number:93-25-4

MDL number:MFCD00004321

EINECS number:202-231-4

RTECS number:None

BRN number:2047573

PubChem number:202-231-4

Physical property data

1. Characteristics: light yellow crystalline powder.


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


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


4. Melting point (ºC):120 -122


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


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


7. Refractive Index: Undetermined


8. Flashpoint (ºC): Undetermined


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. Oil and water (octanol/Log value of partition coefficient (water): undetermined


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


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


19. Solubility: Undetermined.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index:44.04


2. Molar volume (m3/mol):140.8


3. Isotonic specific volume ( 90.2K??362.3


4. Surface tension (dyne/cm):43.7


5. Polarizability(10-24cm3??17.46

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: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 46.5

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 156

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 stored in a sealed, cool, dry place.

Synthesis method

None

Purpose

Organic synthesis.

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2-propanethiol

2-propanethiol structural formula

Structural formula

Business number 01JH
Molecular formula C3H8S
Molecular weight 76.16
label

isopropyl mercaptan,

Thioisopropanol,

2-propanethiol,

1-methylisothiol,

1-Methylethanethiol,

2-Mercaptopropane,

Isopropyl mercaptan,

Sulfur compound solvents,

alcohol compounds

Numbering system

CAS number:75-33-2

MDL number:MFCD00004863

EINECS number:200-861-4

RTECS number:TZ7302000

BRN number:605260

PubChem number:24881336

Physical property data

1. Properties: Colorless volatile liquid with special odor.

2. Density (g/mL, 25/4?): 0.8143

3. Melting point (ºC): -130.54

4. Boiling point (ºC , normal pressure): 52.6

5. Refractive index (20ºC): 1.4225

6. Flash point (ºC): -34.4

7. Solubility : Miscible with ethanol and ether, easily soluble in acetone, slightly soluble in water.

Toxicological data

The vapor is toxic if inhaled. Irritating to eyes, respiratory system and skin.

Ecological data

None

Molecular structure data

1. Molar refractive index: 23.80

2. Molar volume (cm3/mol): 92.4

3. Isotonic specific volume (90.2K ): 200.7

4. Surface tension (dyne/cm): 22.2

5. Polarizability (10-24cm3): 9.43

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.3

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 1

7. Number of heavy atoms: 4

8. Surface charge: 0

9. Complexity: 10.8

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. Highly flammable.

2. Exist in smoke.

Storage method

This product should be sealed and stored in a cool, dry place away from light.

Synthesis method

None

Purpose

Used as solvent and organic synthesis intermediate.

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