2,5-Dimethylnitrobenzene

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:89-58-7

MDL number:None

EINECS number:201-920-7

RTECS number:ZE4686600

BRN number:None

PubChem ID:None

Physical property data

1. Properties: yellow liquid ^[1]

2. Melting point (℃): -25^[2]

3. Boiling point (℃): 240^[3]

4. Relative density (water=1): 1.32^{[4 ]}

5. Octanol/water partition coefficient: 2.91^[5]

6. Solubility: insoluble in water, soluble in Ethanol, ether. ^[6]

Toxicological data

1. Acute toxicity^[7] LD50: 2440mg/kg (rat oral)

2. Irritation No information available

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3 .Non-biodegradability No information available

4. Other harmful effects^[8] This substance is harmful to the environment and should be treated with special 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. Polarizability (10-24cm3): 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: none

6. Topological molecule polar surface area 45.8

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 153

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

1. Stability^[9] Stable

2. Incompatible substances^[10] Strong oxidizing agent, strong alkali

3. Conditions to avoid contact^[11] Heating

4. Polymerization hazard^[12] No polymerization

5. Decomposition products^[13] Nitrogen oxidation Object

Storage method

Storage Precautions^[14] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. They should be stored separately from oxidants, alkalis, and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

None

Purpose

1. Used in organic synthesis. ^[15]