Polyether_Polyether Polyol Knowledge 2,4,6-Trichloroanisole

2,4,6-Trichloroanisole

2,4,6-Trichloroanisole structural formula

Structural formula

Business number 01XX
Molecular formula C7H5Cl3O
Molecular weight 211.47
label

2,4,6-Trichloroanisole,

2,4,6-Trichloro-1-methoxybenzene,

Cl3C6H2OCH3

Numbering system

CAS number:87-40-1

MDL number:MFCD00000588

EINECS number:201-743-5

RTECS number:None

BRN number:2329219

PubChem number:24861209

Physical property data

1. Characteristics: White monoclinic needle-like crystals, with a slight odor similar to acetophenone, sublimes slowly at room temperature, and can evaporate with water vapor


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


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


4. Melting point (ºC):75(precipitated in water),65.8 (unstable).


5. Boiling point (ºC,Normal pressure):290


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


7. Refractive index:1.536


8. Flash point (ºC):152


9. Specific optical rotation (º ): Undetermined


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


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


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


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


19. Solubility:Soluble in ethanol, ether and hot water, very slightly soluble in water.


Toxicological data

None yet

Ecological data

None yet

Molecular structure data


1. Molar refractive index: 47.61


2. Molar volume (m3/mol):149.2


3. isotonic specific volume (90.2K):371.5


4. Surface Tension (dyne/cm):38.3


5. Polarizability10-24cm3):18.87

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: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 9.2

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 119

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

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

Synthesis method

None yet

Purpose

Organic synthesis.

; TEXT-INDENT: -54.75pt; TEXT-ALIGN: left; tab-stops: list 36.0pt; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto; mso-list: l0 level2 lfo1 ” align=left> 3. Isotonic specific volume (90.2K):371.5


4. Surface Tension (dyne/cm):38.3


5. Polarizability10-24cm3):18.87

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: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 9.2

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 119

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

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

Synthesis method

None yet

Purpose

Organic synthesis.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.polyether-factory.com/archives/18708

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