3,4-Dichlorotoluene 3,4-Dichlorotoluene

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:95-75-0

MDL number:MFCD00000556

EINECS number:202-447-9

RTECS number:None

BRN number:1931687

PubChem number:24849924

Physical property data

1. Properties: colorless liquid with pungent odor. ^[1]

2. Melting point (℃): -15.3^[2]

3. Boiling point (℃): 208.9^[3]

4. Relative density (water = 1): 1.26^[4]

5. Octanol /Water partition coefficient: 3.95^[5]

6. Flash point (℃): 85.56^[6]

7 .Ignition temperature (℃): 450^[7]

8. Solubility: insoluble in water, miscible in ethanol, ether, acetone, benzene, tetrachloride carbon. ^[8]

Toxicological data

1. Acute toxicity No data available

2. Irritation No data available

Ecological data

1. Ecotoxicity^[9] LC50: 5mg/L (7d) (fish)

2. Biodegradability No information available

3. Non-biodegradability No information available

Molecular structure data

1. Molar refractive index: 40.86

2. Molar volume (cm³/mol): 129.6

3. Isotonic specific volume (90.2K ): 316.6

4. Surface tension (dyne/cm): 35.6

5. Polarizability: 16.20

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: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 92.9

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. It can burn when exposed to open fire and decompose under high heat to produce toxic and corrosive smoke.

2. Stability^[10] Stable

3. Incompatible substances^[11] Strong oxidizing agent, strong alkali

4. Conditions to avoid contact^[12] Heating

5. Aggregation hazard^[13] No polymerization

6. Decomposition products^[14] Hydrogen chloride

Storage method

Storage Precautions^[15] Stored 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 as solvent and in organic synthesis. ^[16]