4-Methyl-2-nitrobenzene

4-Methyl-2-nitrobenzene structural formula

Structural formula

Business number 03AF
Molecular formula C8H9NO3
Molecular weight 167.16
label

CH3C6H3(NO2)OCH3,

aromatic compounds

Numbering system

CAS number:119-10-8

MDL number:MFCD00024540

EINECS number:204-296-4

RTECS number:None

BRN number:None

PubChem number:24862822

Physical property data

1. Characteristics: Yellow crystal.


2. Density (g/mL,25): 1.205


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


4. Melting point (ºC):8- 9


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


6. Boiling point (ºC, 14mmHg): 154


7. Refractive index:1.557


8. Flashpoint (ºC): Undetermined


9. Specific rotation (º): Undetermined


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


11. Vapor pressure (mmHg,ºC): Undetermined


12. Saturated vapor pressure (kPa, ºC): 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

None yet

Molecular structure data

5. Molecular property data:


1, Moore Refractive index: 44.30


2, Moore Volume (m3/mol):141.5


3 Isotonic specific volume (90.2K) :357.0


4, Surface Tension (dyne/cm):40.4


5 Polarizability (10-24cm3):17.56

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: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 55

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 166

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

al style=”BACKGROUND: white; MARGIN: 0cm 0cm 0pt 77.75pt; TEXT-INDENT: -54.75pt; LINE-HEIGHT: 13.5pt; TEXT-ALIGN: left; tab-stops: list 36.0pt; mso-pagination: widow -orphan; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto” align=left>3 Isotonic specific volume (90.2K): 357.0


4, Surface Tension (dyne/cm):40.4


5 Polarizability (10-24cm3):17.56

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: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 55

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 166

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

��Stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.allhdi.com/archives/46646

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