Harphen

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Hal phenol structural formula

Structural formula

Business number 0536
Molecular formula C12H10N2O
Molecular weight 198.22
label

None yet

Numbering system

CAS number:487-03-6

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character: Undetermined


2. Density (g/ m3,25/4): Undetermined


3. Relative vapor density (g/cm3,AIR =1): Undetermined


4. Melting point (ºC):231


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


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


7. Refractive Index: Undetermined


8. Flash Point (ºF): 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 the partition coefficient for water: undetermined


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


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


19. Solubility: Undetermined

Toxicological data

None yet

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1 Molar refractive index:61.16


2 Molar volumem3/mol):143.9


3 Isotonic specific volume90.2K):421.3


4 Surface tension3.0 dyne/cm SPAN>):73.4


5 Polarizability 0.5 10-24cm3):24.24

Compute chemical data

1. Hydrophobic parameters Calculate the reference value (XlogP): Undetermined


2. Hydrogen Bonding Number of donors: 3


3. Hydrogen Bonding Number of receptors: 3


4. Rotatable Number of chemical bonds: 0


5. Interchange Number of isomers: 12


6. Topological molecule polar surface area (TPSA): 41.1


7. Heavy Atom Quantity: 16


8. Surface Charge :0


9. Complexity :516


10. Isotope atomic number:0


11. Determine the number of atomic stereocenters:0


12. Uncertain number of atomic stereocenters0


13. Determine the number of stereocenters of chemical bonds:0


14. Uncertain number of chemical bond stereocenters:0


15. Number of covalent bond units: 2

Properties and stability

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

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