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