1-Chloromethylnaphthalene
Structural formula
| Business number | 01WS |
|---|---|
| Molecular formula | C11H9Cl |
| Molecular weight | 176.64 |
| label |
1-naphthylmethyl chloride, 1-Naphthylmethyl chloride, C10H7CH2Cl |
Numbering system
CAS number:86-52-2
MDL number:MFCD00004042
EINECS number:201-678-2
RTECS number:QJ2800000
BRN number:636885
PubChem number:24892781
Physical property data
1. Character: Prismatic crystal
2. Density (g/mL, 25/4℃): 1.17
3. Relative vapor density (g/mL, Air=1): Undetermined
4. Melting point (ºC): 31.5℃
5. Boiling point (ºC, normal pressure): 291.5℃
6 . Boiling point (ºC, 5.2kPa): 167-169℃ (3.33kPa)
7. Refractive index: 1.6380
8. Flash point (ºC): > 110℃
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): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient : Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: soluble in benzene and ethanol
Toxicological data
1. Acute toxicity:
Rat caliber LD50: 890mg/kg; rat skin LD50: >5mg/kg;
Rabbit skin LD50: 2mg/kg;
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 53.86
2. Molar volume (cm3/mol): 151.2
3. Isotonic specific volume (90.2K): 386.3
4. Surface tension (dyne/cm): 42.5
5. Polarizability (10-24cm3): 21.35
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: 0
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 144
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. UncertaintyNumber of �� bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
Seal and store in a dry and dark place at 4°C
Synthesis method
Prepared from naphthalene chloromethylation. Heat naphthalene, polyformaldehyde, glacial acetic acid, 85% phosphoric acid and concentrated hydrochloric acid together to 85°C, and stir vigorously for 6 hours. After the reaction is completed, cool to 15°C and wash with water. Finally, wash with 10% potassium carbonate solution, separate the aqueous layer, add diethyl ether, and dry over anhydrous sodium carbonate. Then the ether is evaporated under normal pressure, the residue is distilled under reduced pressure, and the 128-135°C (0.67kPa) fraction is collected to obtain the finished product. In addition, this product can also be obtained by chlorination of 1-methylnaphthalene.
Purpose
Organic synthesis intermediate, used for the synthesis of 1-naphthaldehyde.