structural formula
| business number | 01wt |
|---|---|
| molecular formula | c11h7cn |
| molecular weight | 153.18 |
| label |
1-cyanonaphthalene, 1-naphthalenenitrile, 1-cyanonaphthalene, 1-naphthalene nitrile, 1-naphthylnitrile, synthetic raw materials, intermediates |
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 (n18d): 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.
