1,3,5-Tris(chloromethyl)benzene

Base Information

• Chemical Name: 1,3,5-Tris(chloromethyl)benzene
• CAS No.: 17299-97-7
• Molecular Formula: C9H9 Cl3
• Molecular Weight: 223.529
• NSC Number: 46592
• DSSTox Substance ID: DTXSID20169486
• Nikkaji Number: J1.512.104A
• Wikidata: Q83039201
• Mol file: 17299-97-7.mol

Synonyms:1,3,5-tris(chloromethyl)benzene;17299-97-7;1,3,5-TRI(ALPHA-CHLOROMETHYL)BENZENE;Benzene,1,3,5-tris(chloromethyl)-;Benzene, 1,3,5-tris-(chloromethyl);1,3,5-tri(chloromethyl)benzene;NSC46592;Benzene, 1,3,5-tris(chloromethyl)-;1,3,5-trichloromethylbenzene;SCHEMBL1050358;DTXSID20169486;PJKMOHIGRNELRP-UHFFFAOYSA-N;AMY39697;NSC 46592;NSC-46592;A852924

Chemical Property of 1,3,5-Tris(chloromethyl)benzene

Chemical Property:

• Vapor Pressure: 0.000626mmHg at 25°C
• Boiling Point: 319.6°Cat760mmHg
• Flash Point: 217.8°C
• PSA: 0.00000
• Density: 1.295g/cm³
• LogP: 3.90300
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 221.976983
• Heavy Atom Count: 12
• Complexity: 91.2

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1CCl)CCl)CCl

Technology Process of 1,3,5-Tris(chloromethyl)benzene

There total 5 articles about 1,3,5-Tris(chloromethyl)benzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

1,3,5-Tris(bromomethyl)benzene (18226-42-1) → α,α',α''-trichloromesitylene (17299-97-7)

Guidance literature:

With lithium chloride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 2.5h; Inert atmosphere;

DOI:10.1002/chem.201101837

Reference yield:

1,3,5-tris(hydroxymethyl)benzene (4464-18-0) → α,α',α''-trichloromesitylene (17299-97-7)

Guidance literature:

With pyridine; thionyl chloride; In benzene;

DOI:10.1039/j39680000630

Reference yield:

1,3,5-tris-(methoxycarbonyl)benzene (2672-58-4) → α,α',α''-trichloromesitylene (17299-97-7)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / diethyl ether

2: SOCl₂, Py / benzene

With pyridine; lithium aluminium tetrahydride; thionyl chloride; In diethyl ether; benzene;

DOI:10.1039/j39680000630

upstream raw materials:

1,3,5-tris(hydroxymethyl)benzene

1,3,5-tris-(methoxycarbonyl)benzene

1,3,5-Tris(bromomethyl)benzene

Downstream raw materials:

(3,5-bis(chloromethyl)benzyl)(3-tert-butyl-5-(tritylthiomethyl)benzyl)sulfane

C₅₄H₅₄S₄

C₃₅H₄₀S₄

C₈₂H₉₄S₈