8.20315

1-Chloronaphthalene

for synthesis

• Synonym(s): 1-Chloronaphthalene, α-Naphthyl chloride
• Empirical Formula (Hill Notation): C₁₀H₇Cl
• CAS Number: 90-13-1
• Molecular Weight: 162.62
• MDL number: MFCD00003874
• UNSPSC Code: 12352101
• EC Index Number: 201-967-3
• NACRES: NA.22

Properties

• vapor pressure: 0.05 hPa ( 20 °C)
• Quality Level: 200
• assay: 85.0-88.0% (GC)
• form: liquid
• autoignition temp.: >500 °C
• potency: 1540 mg/kg LD₅₀, oral (Rat); >2000 mg/kg LD₅₀, skin (Rat)
• refractive index: n20/589 1.6332
• pH: 7 (20 °C in H₂O, undiluted)
• bp: 259 °C/1013 hPa
• mp: -6--2.5 °C
• transition temp: flash point 115 °C
• density: 1.19 g/cm³ at 20 °C
• storage temp.: 2-30°C
• InChI: 1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
• InChI key: JTPNRXUCIXHOKM-UHFFFAOYSA-N

Description

Application

• Enhancement of polymer solar cells: 1-Chloronaphthalene was used as a solid additive in high-efficiency polymer solar cells developed with a benzo-difuran-based donor polymer, improving device performance and stability (Chen et al., 2023).
• Study of charge transfer complexes: The electronic and vibrational properties of tetracyanoethylene-chloronaphthalene charge transfer complex in solution were explored using TD-DFT and ab initio molecular dynamics, providing insights into molecular interactions and stability (Coppola et al., 2022).
• Efficiency boost in solar cells: 1-Chloronaphthalene was employed as a nontoxic, halogen-free additive in polymer solar cells, significantly boosting their efficiency and highlighting its potential as an environmentally friendly material for solar energy applications (Liu et al., 2021).
• Development of nonhalogenated-solvent solar cells: Medium-band-gap small-molecule acceptors based on a 6,12-dihydro-diindolo[1,2-b:1,2-e]pyrazine unit were used in nonhalogenated-solvent-processed polymer solar cells, where 1-Chloronaphthalene acted as a solvent, promoting higher device efficiencies and reduced environmental impact (Chen et al., 2019).

Analysis Note

Assay (GC, area%): 85.0 - 88.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.188 - 1.195
2-Chloronaphthalene (GC, area%): 12.0 - 15.0 % (a/a)
Identity (IR): passes test

Safety Information

• pictograms: GHS07,GHS09
• signalword: Warning
• hcodes: H302 - H315 - H319 - H335 - H400
• pcodes: P261 - P264 - P273 - P301 + P312 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Aquatic Acute 1 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 2
• flash_point_f: 249.8 °F - closed cup
• flash_point_c: 121 °C - closed cup