Isopentylamine Isopentylamine

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:107-85-7

MDL number:MFCD00008203

EINECS number:203-526-0

RTECS number:None

BRN number:1209230

PubChem number:24901560

Physical property data

1. Properties: colorless to light yellow transparent liquid with ammonia odor. ^[1]

2. Melting point (℃): -60^[2]

3. Boiling point (℃): 95~97^[3]

4. Relative density (water=1): 0.75^[4]

5. Relative vapor density (air = 1): 3.0^[5]

6. Heat of combustion (kJ/mol): -3623.2^[6]

7. Octanol/water partition coefficient: 1.25^[7]

8. Flash point (℃): 4^[8] sup>

9. Ignition temperature (℃): 365^[9]

10. Solubility: soluble in water, ethanol, ether. ^[10]

11. Refractive index (20ºC): 1.408

Toxicological data

1. Acute toxicity: Rat oral LD50: 470mg/kg

2. Inhalation of low-concentration vapor is irritating to the upper respiratory tract, high concentration can cause corneal edema and ulcers, and liquid can cause eye damage. and skin burns.

3. Acute toxicity ^[11] LD50: 470mg/kg (rat oral)

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3 .Non-biodegradability No information available

4. Other harmful effects^[12] 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: 28.70

2. Molar volume (cm³/mol): 115.1

3. Isotonic specific volume (90.2K ): 257.4

4. Surface tension (dyne/cm): 25.0

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 11.38

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 26

7. Number of heavy atoms: 6

8. TableSurface charge: 0

9. Complexity: 25.1

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Stability^[13] Stable

2. Incompatible substances^[14] Acids, acid anhydrides, strong oxidants, carbon dioxide

3. Polymerization hazards^[15] No polymerization

Storage method

Storage Precautions^[16] Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 37°C. Keep container tightly sealed. They should be stored separately from oxidants, acids, etc., and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

Purpose

Used as solvent and used in organic synthesis. ^[17]