1-naphthalene isocyanate

Structural formula

Business number	01X4
Molecular formula	C11H7NO
Molecular weight	169.18
label	α-naphthyl isocyanate, 1-Naphthyl isocyanate, 1-naphthyl isocyanate, C10H7NCO

• 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:86-84-0

MDL number:MFCD00003881

EINECS number:201-703-7

RTECS number:None

BRN number:742779

PubChem number:24850308

Physical property data

1. Character: colorless liquid, almost odorless at room temperature, its vapor has a special spicy smell, sensitive to moisture, decomposes when exposed to water

2. Density (g/mL ,25/4℃)：1.181

3. Relative vapor density (g/mL,AIR=1): Undetermined

4. Melting point (ºC): 4 ℃

5. Boiling point (ºC,Normal pressure):270℃

6. Boiling point (ºC,5.2 kPa): Undetermined

7. Refractive index:1.6344

8. Flash point (ºC):135

9. Specific optical rotation (º ): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa ,60ºC%,V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: soluble in ethanol, chloroform, ether and petroleum ether

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 52.04

2. Molar volume (m³/mol）：154.5

3. isotonic specific volume (90.2K):394.8

4. Surface Tension (dyne/cm):42.6

5. Polarizability（10^-24cm³):20.63

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: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 29.4

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 220

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

None yet

Storage method

This product should be sealed, dry and protected from light.

Synthesis method

None yet

Purpose

Determination of alcohols, primary amines, secondary amines, halogens and phenols.

y: Arial”>Isotonic specific volume (90.2K): 394.8

4. Surface Tension (dyne/cm):42.6

5. Polarizability（10^-24cm³):20.63

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: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 29.4

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 220

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

None yet

Storage method

This product should be sealed, dry and protected from light.

Synthesis method

None yet

Purpose

Determination of alcohols, primary amines, secondary amines, halogens and phenols.