1-Naphthylcarbonitrile
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
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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.
