Isobutyl chloroformate

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:543-27-1

MDL number:MFCD00000642

EINECS number:208-840-1

RTECS number:None

BRN number:956590

PubChem number:24852967

Physical property data

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

2. Boiling point (℃): 128.8^[2]

3. Relative density (water=1 ): 1.05^[3]

4. Relative vapor density (air=1): 4.71^[4]

5 .Saturated vapor pressure (kPa): 2.27 (20℃)^[5]

6. Octanol/water partition coefficient: 1.54^[6]

7. Flash point (℃): 27 (CC) ^[7]

8. Solubility: soluble in hot ethanol, benzene, chloroform, Miscible in ether. ^[8]

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

Molecular structure data

1. Molar refractive index: 31.79

2. Molar volume (cm³/mol): 126.3

3. Isotonic specific volume (90.2K ): 291.6

4. Surface tension (dyne/cm): 28.4

5. Polarizability (10^-24cm³): 12.60

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: 2

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 80.5

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 materials ^[10] Strong oxidants, strong acids, strong bases, water vapor, amines

3. Conditions to avoid contact ^[11] Heated, humid air

4. Polymerization hazard^[12] No polymerization

5. Decomposition products^[13] Hydrogen chloride

Storage method

Storage Precautions^[14] Store in a cool, dry and well-ventilated warehouse. keep awayFire, heat source. The storage temperature does not exceed 32°C and the relative humidity does not exceed 80%. Keep container tightly sealed. They should be stored separately from oxidants, acids, alkalis, amines, 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 in organic synthesis. ^[15]

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