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

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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.