2,3-dichloro-1-propanol

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:616-23-9

mdl number:mfcd00013676

einecs number:210-469-5

rtecs number:ub1225000

brn number:1731376

pubchem number:24862342

physical property data

1. properties: colorless liquid.

2. boiling point (ºc, 101.3kpa): 183

3. relative density (g/ml, 20ºc): 1.3616

4. relative vapor density (g/ml, air=1): 4.45

5. refractive index (n20ºc): 1.4819

6. viscosity (mpa·s, 20ºc): 7.38

7. flash point (ºc, closed cup): 74

8. specific heat capacity (kj/(kg·k), 20ºc, constant pressure): 1.60

9. thermal conductivity (w/(m·k), 20ºc): 0.134

10. relative evaporation rate (ether=1): >200

11. vapor pressure (kpa, 20ºc): 0.0399

12. vapor pressure (kpa, 28ºc): 0.1333

13. solubility: soluble in water, solubility in water at 20℃ is about 12.7%, can be compared with alcohol and ether are miscible.

14. relative density (20℃, 4℃): 1.3615

15. relative density (25℃, 4℃): 1.3558

toxicological data

it is moderately toxic. rat oral ld50: 90mg/kg.

ecological data

this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

1. molar refractive index: 27.13

2. molar volume (cm³/mol): 98.7

3. isotonic specific volume (90.2k): 242.5

4. surface tension (dyne/cm): 36.4

5. polarizability (10^-24cm³): 10.75

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.8

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 20.2

7. number of heavy atoms: 6

8. surface charge: 0

9. complexity: 32

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertainnumber of atomic stereocenters: 1

13. determined number of stereocenters of chemical bonds: 0

14. uncertain number of stereocenters of chemical bonds: 0

15 .number of covalent bond units: 1

properties and stability

the product may not decompose under normal temperature and pressure.

storage method

seal the secret container and store it in a sealed main container in a cool, dry place.

synthesis method

none yet

purpose

used as solvent for nitrocellulose spray paint, paint, varnish, and celluloid adhesive. also used to prepare ion exchange resin, etc.