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3,4,6-Trichloro-2-nitrophenol

3,4,6-Trichloro-2-nitrophenol structural formula

Structural formula

Business number 01T1
Molecular formula C6H2Cl3NO3
Molecular weight 242.44
label

2-nitro-3,4,6-trichlorophenol,

2-Nitro-3,4,6-trichlorophenol

Numbering system

CAS number:82-62-2

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

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): Unsure


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): Unsure


12. saturated vapor pressure (kPa,60ºC): Unsure


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


14. Critical temperature (ºC): Unsure


15. Critical pressure (KPa): Unsure


16. Oil and water (octanol/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

Acute toxicity:


Mouse veinLD50:56mg/kg

Ecological data

None yet

Molecular structure data

5. Molecular property data:


1. Molar refractive index:49.36


2. Molar volume (m3/mol):135.5


3. isotonic specific volume (90.2K):385.3


4. Surface Tension (dyne/cm):65.3


5. Polarizability10-24cm3):19.56

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 66

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 210

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

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