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
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.
