Propyl chloroformate
Structural formula
| Business number | 02ZB |
|---|---|
| Molecular formula | C4H7ClO2 |
| Molecular weight | 122.55 |
| label |
(n-Propyl chloroformate, n-propyl chloroformate, N-propyl chloroformate, propyl chlorocarbonate, Chlorocarbonic acid propylester, Chloro-formicacipropylester, Fungicide |
Numbering system
CAS number:109-61-5
MDL number:MFCD00000649
EINECS number:203-687-7
RTECS number:LQ6830000
BRN number:None
PubChem number:24854996
Physical property data
1. Properties: colorless liquid[1]
2. Melting point (℃): <-70[2]
3. Boiling point (℃): 115[3]
4. Relative density (water=1): 1.09[4]
5. Relative vapor density (air=1): 4.23[5]
6. Saturated vapor pressure (kPa): 2.66 (25℃) [6]
7. Octanol/water partition coefficient: 1.12[7]
8. Flash point (℃ ): 26 (CC) [8]
9. Ignition temperature (℃): 475[9]
10. Solubility: Insoluble in water, soluble in most organic solvents such as alcohol, ether, benzene, and chloroform. [10]
Toxicological data
1. Acute toxicity[11]
LD50: 550mg/kg (mouse oral); 10mg/kg (mouse transdermal)
LC50: 1604mg/m3 (mouse inhalation, 1h)
2. Irritation No information yet
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: 27.20
2. Molar volume (cm3/mol): 109.4
3. Isotonic specific volume (90.2K ): 254.4
4. Surface tension (dyne/cm): 29.2
5. Polarizability (10-24cm3): 10.78
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: 7
8. Surface charge: 0
9. Complexity: 62.7
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[12] Stable
2. Incompatible substances[13] Acids, alkalis, alcohols, Amines, water
3. Conditions to avoid contact[14] Heat, humid air
4. Polymerization hazard[15] No polymerization
5. Decomposition products[16] Hydrogen chloride, phosgene
Storage method
Storage Precautions[17] Store in a cool, dry and well-ventilated warehouse. Keep away from fire and heat sources. The storage temperature does not exceed 32°C and the relative humidity does not exceed 80%. The packaging must be sealed and protected from moisture. They should be stored separately from acids, alkalis, alcohols, amines, and food chemicals, 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
None yet
Purpose
Used in organic synthesis. [18]
