2-sec-butyl-4,6-dinitrophenol

Structural formula

Business number	0204
Molecular formula	C10H12N2O5
Molecular weight	240.21
label	dinitrobutanol, Aatox,Dibutox,Dytop,Laseb,Premerg, herbicide

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:88-85-7

MDL number:MFCD00024246

EINECS number:201-861-7

RTECS number:SJ9800000

BRN number:None

PubChem number:24868930

Physical property data

1. Characteristics: orange-brown liquid.

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

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

4. Melting point ( ºC): 38～42

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): Not OK

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

12. Saturation 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/water) partition coefficient pair Value: Undetermined

17. Explosion limit (%,V/V): Not OK

18. Lower explosion limit (%,V/V): Not OK

19. Solubility: soluble in heat Ethanol and ether are slightly soluble in boiling benzene and insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

None

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: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 4

6. Topological molecule polar surface area 112

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 298

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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

Contact herbicide. Pesticide analysis standards.

: 0pt”>18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: soluble in heat Ethanol and ether are slightly soluble in boiling benzene and insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

None

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: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 4

6. Topological molecule polar surface area 112

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 298

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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

Contact herbicide. Pesticide analysis standards.