Isobutyl chloroformate
Structural formula
| Business number | 05M0 |
|---|---|
| Molecular formula | C5H9O2Cl |
| Molecular weight | 136.58 |
| label |
For peptide synthesis |
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]
