2,5-norbornadiene 2,5-norbornadiene

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:121-46-0

mdl number:mfcd00082301

einecs number:204-472-0

rtecs number:rb6535000

brn number:506224

pubchem id:none

physical property data

1. properties: liquid

2. relative density: 0.909

3. refractive index: 1.4707

4. flash point (℃): – 21

5. melting point (℃): -19.1

6. boiling point (ºc): 90

7. relative density (25℃, 4℃) : 0.8992 ²⁶

8. normal temperature refractive index (n ^{20 ): 1.4702}

9. normal temperature refractive index (n <<<<²⁰): 1.4702

10. relative density (20℃, 4℃): 0.9064

11. refractive index at room temperature (n²⁵): 1.4681

12. gas phase standard combustion heat (enthalpy) (kj·mol^-1): -4143.8

13. gas phase standard claim heat (enthalpy) (kj·mol^-1): 245.9

14. liquid phase standard combustion heat (enthalpy) (kj·mol^-1 ): -4110.9

15. liquid phase standard claims heat (enthalpy) (kj·mol^-1): 213.0

toxicological data

1. acute toxicity: rat inhalation lc50: 14100ppm/8h

rat peritoneal cavity ld50: 890mg/kg

mouse oral ld50: 3850mg/kg

mouse inhalation lc50: 27700ppm/30m

mouse intravenous injection ld50: 56mg/kg

2. acute toxicity:

oral ld50 2850mg/kg(mus)

inhalation lc50/8h14100ppm/8h(rat)

main irritating effects:

on skin: irritating skin and mucous membranes.

on eyes: irritation effects

sensitization: no known sensitizing effects.

ecological data

general notes

generally not hazardous to water

do not discharge materials into the surrounding environment without government permission.

molecular structure data

5. molecular property data:

1. molar refractive index: 29.54

2. molar volume (cm³/mol): 91.7

3. isotonic specific volume (90.2k): 231.7

4. surface tension (dyne/cm): 40.6

5. dielectric constant: 2.29

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6. dipole moment (10^-24cm³):

7. polarizability: 11.71

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.1

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 0

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 7

8. surface charge: 0

9. complexity: 103

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. basic properties

liquid. soluble in petroleum ether, insoluble in water. relative density 0.909. melting point -20℃. boiling point 89℃. refractive index 1.4707. flash point -21℃. flammable. an appropriate amount of 2,6-di-tert-butyl-4-methylphenol or 2,4-dimethyl-6-tert-butylphenol is often added to commercially available products as a stabilizer.

storage method

2. storage:

sealed and stored

synthesis method

none

purpose

3. uses

prostaglandin synthesis intermediate. commonly used diels-alder reagent. preparation and isomerization synthesis of tetracycloalkane derivatives