50402-51-2

Basic information

• Product Name: Naphthalene, 1,2,4-trichloro-
• Synonyms: Naphthalene, 1,2,4-trichloro-;1,2,4-TRICHLORONAPHTHALENE;CN-14
• CAS NO: 50402-51-2
• Molecular Formula: C₁₀H₅Cl₃
• Molecular Weight: 231.51
• Mol File: 50402-51-2.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 327.9°C at 760 mmHg
• Flash Point: 224.5°C
• Appearance: /
• Density: 1.452g/cm³
• Vapor Pressure: 0.000374mmHg at 25°C
• Refractive Index: 1.659
• CAS DataBase Reference: Naphthalene, 1,2,4-trichloro-(CAS DataBase Reference)
• NIST Chemistry Reference: Naphthalene, 1,2,4-trichloro-(50402-51-2)
• EPA Substance Registry System: Naphthalene, 1,2,4-trichloro-(50402-51-2)

Safety Data

• Hazardous Substances Data: 50402-51-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H5Cl3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5H

Upstream product

• 20020-02-4 1,2,3,4-tetrachloronaphthalene 

Relevant articles and documents

Degradation of one-side fully-chlorinated 1,2,3,4-tetrachloronaphthalene over Fe-Al composite oxides and its hypothesized reaction mechanism

The degradation of 1,2,3,4-tetrachloronaphthalene (CN-27) featuring a one-side fully-chlorinated aromatic ring, was evaluated over three of the prepared rod-like Fe-Al composite oxides (FeAl-1, FeAl-5 and FeAl-10). The results showed that their reactive activities were in the order of FeAl-5 ≈ FeAl-10 ? FeAl-1, which could be attributed to their different pore structural properties and reactive sites caused by the different phase interaction between iron species and the γ-Al2O3. The generation of trichloronaphthalenes (1,2,3-TrCN and 1,2,4-TrCN, i.e. CN-13 and CN-14), dichloronaphthalenes (1,2-DiCN, 1,3-DiCN, 1,4-DiCN and 2,3-DiCN, i.e. CN-3, CN-4, CN-5 and CN-10) and monochloronaphthalenes (1-MoCN and 2-MoCN, i.e. CN-1 and CN-2) suggested the occurrence of successive hydrodechlorination reactions. The amount of CN-14 exceeded that of CN-13 from 71.5% to 77.7% across the three different systems, revealing the preferred occurrence of the first hydrodechlorination step at the β-position. This is dissimilar to the preference at the α-position observed during the dechlorination of octachloronaphthalene (CN-75) over micro/nano Fe3O4. The structural differences between one-side and two-side fully-chlorinated aromatic rings would have a pronounced impact on the reactivity of the chlorine substitution position. The major hydrodechlorination pathway was judged to be CN-27 → CN-14 → CN-4 → CN-2. Additionally, the detected 1,2,3,4,6-pentachloronaphthalene (CN-50) and 1,2,4,6/7-tetrachloronaphthalenes (CN-33/34) suggested the reverse chlorination reaction also happened while the hydrodechlorination reaction was occurring. The C-Cl bond dissociation energies (BDEs) of the parent and daughter polychlorinated naphthalene (PCN) congener were calculated using density functional theory (DFT), to achieve a deeper understanding of a different product yield distribution.