1-naphthylcarbonitrile

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:86-53-3

mdl number:mfcd00003866

einecs number:201-679-8

rtecs number:ql5976300

brn number:971255

pubchem number:24893146

physical property data

1. properties: colorless needle-like crystals.

2. density (g/ml, 25/4℃): 1.108

3. relative vapor density (g/ml, air=1): undetermined

4. melting point (ºc): 38

5. boiling point (ºc, normal pressure): 299

6. boiling point (ºc, 5.2kpa): undetermined

p>

7. refractive index _(n¹⁸_d): 1.6298

8. flash point (ºc ): undetermined

9. specific rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa, 25ºc): not determined

12. saturation vapor pressure (kpa, 60ºc): not determined

13. heat of combustion (kj/mol): not determined determined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/water ) log value of distribution coefficient: undetermined

17. explosion upper limit (%, v/v): undetermined

18. explosion lower limit (%, v/v): undetermined confirm

19. solubility: easily soluble in ether and petroleum alcohol, insoluble in water

toxicological data

1. teratogenicity

salmonella: 10 mg/l

ecological data

none yet

molecular structure data

1. molar refractive index: 48.87

2. molar volume (cm³/mol): 134.4

3. isotonic specific volume (90.2k): 357.9

4. surface tension (dyne/cm): 50.2

5. polarizability (10^-24cm³): 19.37

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: 1

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 23.8

7. number of heavy atoms: 12

8. surface electricitycharge: 0

9. complexity: 200

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determined number of chemical bond stereocenters: 0

14. uncertain number of chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

1. exist in smoke.

storage method

seal and store in a dry and dark place at 4°c

synthesis method

obtained from the reaction of 1-bromonaphthalene and cuprous cyanide.

purpose

used as an intermediate in organic synthesis.