Toluene diisocyanate manufacturer Knowledge 8-Chlorotheophylline 8-Chlorotheophylline

8-Chlorotheophylline 8-Chlorotheophylline

8-chlorotheophylline structural formula

Structural formula

Business number 01VF
Molecular formula C7H7ClN4O2
Molecular weight 214.61
label

8-chlorophylline,

8-Chloro-1,3-dimethyl-2,6-(1H,3H)-purinedione,

8-Chloro-1,3-dimethyl-2,6(1H,3H)-purinedione

Numbering system

CAS number:85-18-7

MDL number:MFCD00005581

EINECS number:201-590-4

RTECS number:XH5063000

BRN number:203068

PubChem number:24892943

Physical property data

1. Physical property data


1. Character: Uncertain.


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


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


4. Melting point (ºC): 290(decomposed)


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


6. Boiling point (ºC,5.2kPa): Unsure


7. Refractive index: Uncertain


8. Flash Point (ºC): Unsure


9. Specific optical rotation (º): Unsure


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


11. Vapor pressure (kPa,25ºC�0pt”>/Log value of water) partition coefficient: Uncertain


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


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


19. Solubility: Uncertain.

Toxicological data

1, acute toxicity:


Mouse caliber LD50: 440mg/kg; Mouse vein LD50: 270mg/kg

Ecological data

None yet

Molecular structure data


5. Molecular property data:


1. Molar refractive index: 48.04


2. Molar Volume (m3/mol):134.8


3. isotonic specific volume (90.2K):389.6


4. Surface Tension (dyne/cm):69.6


5. Polarizability10-24cm3):19.04


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: 0

5. Number of tautomers: 4

6. Topological molecule polar surface area 69.3

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 297

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 yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

IZE: 9pt; FONT-FAMILY: 宋体; mso-bidi-font-family: Arial; mso-ascii-font-family: Arial; mso-hansi-font-family: Arial”>5. Molecular property data:


1. Molar refractive index: 48.04


2. Molar Volume (m3/mol):134.8


3. isotonic specific volume (90.2K):389.6


4. Surface Tension (dyne/cm):69.6


5. Polarizability10-24cm3):19.04


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: 0

5. Number of tautomers: 4

6. Topological molecule polar surface area 69.3

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 297

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 yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

��Number: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 4

6. Topological molecular polarity Surface area 69.3

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 297

10 .The number of isotope atoms: 0

11. The number of determined atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Number of uncertain stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

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