1,4-Dichlorobenzene-d4

Base Information

• Chemical Name: 1,4-Dichlorobenzene-d4
• CAS No.: 3855-82-1
• Molecular Formula: C6Cl2D4
• Molecular Weight: 150.972
• Hs Code.: 28459000
• European Community (EC) Number: 684-572-2
• DSSTox Substance ID: DTXSID30959416
• Nikkaji Number: J1.769.657B
• Wikidata: Q82940156
• Mol file: 3855-82-1.mol

Synonyms:1,4-Dichlorobenzene-d4;3855-82-1;1,4-dichloro-2,3,5,6-tetradeuteriobenzene;Benzene-1,2,4,5-d4, 3,6-dichloro-;1,4-Dichlorobenzene D4;3,6-Dichlorobenzene-1,2,4,5-d4;1,4-Dichloro-2,3,5,6-tetradeuterobenzene;1,4-Dichlorobenzene D4 2000 microg/mL in Methanol;Tetradeutero-1,4-dichlorobenzene;1,4-Dichlorobenzene-D4 98.0 Atom % D;C6-Cl2-D4;SCHEMBL2043383;HY-Y0496S;DTXSID30959416;(2H4)-1,4-Phenylene dichloride;1,4-Dichloro(~2~H_4_)benzene;CS-CE-00823;Benzene, 1,4-dichloro-, [2H4];MFCD00000605;AKOS015889136;AS-83546;1,4-Dichlorobenzene-d4, analytical standard;CS-0542601;D98246;1,4-Dichlorobenzene-d4, 98% D, 98% (CP)

Chemical Property of 1,4-Dichlorobenzene-d4

Chemical Property:

• Vapor Pressure: 1.64mmHg at 25°C
• Melting Point: 52-54 °C(lit.)
• Refractive Index: 1.548
• Boiling Point: 60.7 °C
• Flash Point: 174.1 °C at 760 mmHg
• PSA: 0.00000
• Density: 1.332 g/cm³
• LogP: 2.99340
• Storage Temp.: 0-6°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 149.9941125
• Heavy Atom Count: 8
• Complexity: 54.9

Purity/Quality:

1,4-Dichlorobenzene-d4 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N,T,F
• Hazard Codes: Xn,N,T,F
• Statements: 36-40-50/53-39/23/24/25-23/24/25-11-52/53-67-36/37/38
• Safety Statements: 36/37-46-60-61-45-24/25-23-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Chlorinated Aromatics
• Canonical SMILES: C1=CC(=CC=C1Cl)Cl
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1Cl)[2H])[2H])Cl)[2H]

Technology Process of 1,4-Dichlorobenzene-d4

There total 2 articles about 1,4-Dichlorobenzene-d4 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:

→ 1,4-dichlorobenzene-d4 (3855-82-1)

Guidance literature:

aus p-Dichlorbenzol mit CH3CH2AlCl2 in C6D6/H2O (gemeinsam mit der d3-Verb.);

Reference yield:

para-dichlorobenzene (106-46-7,84348-21-0) → 1,4-dichlorobenzene-d4 (3855-82-1)

Guidance literature:

With Et₃Si⁺[CHB₁₁H₅Br₆]^-; hexadeuterobenzene; at 20 ℃; for 1h; Glovebox;

DOI:10.1021/jacs.2c00080

Reference yield: 99.0%

1,4-dichlorobenzene-d4 (3855-82-1) → [3,4,6-(2)H3]-2,5-dichloronitrobenzene (783321-79-9)

Guidance literature:

With nitric acid; at 20 ℃; for 0.25h;

DOI:10.1039/b409373a

upstream raw materials:

para-dichlorobenzene

Downstream raw materials:

[3,4,6-⁽²⁾H₃]-2,5-dichloronitrobenzene

[3,4,6-⁽²⁾H₃]-2,5-dichloroaniline

Refernces

• 1、 He, Tao,Klare, Hendrik F. T.,Oestreich, Martin. "Perdeuteration of Deactivated Aryl Halides by H/D Exchange under Superelectrophile Catalysis". supporting information. p. 4734 - 4738. Retrieved 2022/03/27.