5-Nitro-m-xylene 5-Nitro-m-xylene

Structural formula

• 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:99-12-7

MDL number:MFCD00007269

EINECS number:202-732-8

RTECS number:None

BRN number:1936130

PubChem number:24869551

Physical property data

1.Character: Colorless needle crystal^[1]

2. Melting point (℃): 75^[2]

3. Boiling point (℃): 273 (98.5kPa) ^[3]

4. Saturated vapor pressure (kPa): 98.5 (273℃) ^[4]

5. Octanol/water partition coefficient: 2.910^[5]

6. Solubility: insoluble in water, Easily soluble in ethanol and ether. ^[6]

Toxicological data

1. Acute toxicity No data available

2. Irritation No data available

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3 .Non-biodegradability No information available

4. Other harmful effects^[7] This substance is harmful to the environment and should be specially Pay attention to water pollution.

Molecular structure data

1. Molar refractive index: 42.44

2. Molar volume (cm³/mol): 133.8

3. Isotonic specific volume (90.2K ): 338.0

4. Surface tension (dyne/cm): 40.7

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 16.82

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.5

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 43.1

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 143

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 Number: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Stability^[8] Stable

2. Incompatible substances^[9] Strong oxidizing agent, strong reducing agent, strong alkali

3. Conditions to avoid contact^[10] Heating

4. Aggregation hazard^[11]No polymerization

5. Decomposition products^[12] Nitrogen oxides

Storage method

Storage Precautions^[13] Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. The packaging is sealed. They should be stored separately from oxidants, reducing agents, alkalis, and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None yet

Purpose

1. Used in organic synthesis. ^[14]