1,2-Dichlorobenzene-D4

Base Information

• Chemical Name: 1,2-Dichlorobenzene-D4
• CAS No.: 2199-69-1
• Molecular Formula: C6D4Cl2
• Molecular Weight: 150.972
• Hs Code.: 29039110
• European Community (EC) Number: 218-606-0
• DSSTox Substance ID: DTXSID00944591
• Nikkaji Number: J299.151I
• Wikidata: Q82921833
• Mol file: 2199-69-1.mol

Synonyms:1,2-Dichlorobenzene-D4;2199-69-1;1,2-dichloro-3,4,5,6-tetradeuteriobenzene;1,2-Dichlorobenzene D4;Benzene-1,2,3,4-d4,5,6-dichloro-;Benzene-1,2,3,4-D4-, 5,6-dichloro-;1,2-Dichlorobenzene D4 2000 microg/mL in Methanol;Tetradeutero-1,2-dichlorobenzene;o-Dichloro(2H4)benzene;SCHEMBL42874;DTXSID00944591;1,2-Dichloro(~2~H_4_)benzene;CAA19969;EINECS 218-606-0;MFCD00037106;1,2-Dichlorobenzene-3,4,5,6-d4;AKOS015888409;CS-T-52560;1,2-Dichlorobenzene-d4, 98 atom % D;1,2-DICHLOROBENZENE-D4,98ATOM%D;Benzene-1,2,3,4-d4, 5,6-dichloro-;1,2-Dichloro-3,4,5,6-tetradeuterobenzene;1,2-Dichlorobenzene-d4, analytical standard;D99189;1,2-Dichlorobenzene D4 100 microg/mL in Acetone;A815816;A935659;1,2-bis(chloranyl)-3,4,5,6-tetradeuterio-benzene;J-014405

Chemical Property of 1,2-Dichlorobenzene-D4

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 1.213mmHg at 25°C
• Melting Point: -17°C
• Refractive Index: n20/D 1.5509(lit.)
• Boiling Point: 180.479 °C at 760 mmHg
• Flash Point: 65.556 °C
• PSA: 0.00000
• Density: 1.333 g/cm³
• LogP: 2.99340
• Storage Temp.: 0-6°C
• Water Solubility.: Insoluble in water
• 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: 62.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,2-Dichlorobenzene-d4 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N,T
• Hazard Codes: Xn,N,T,F
• Statements: 22-36/37/38-50/53-63-43-23/24/25-45-39/23/24/25-67-52/53-40-11
• Safety Statements: 23-60-61-36/37-24/25-53-45-26-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Chlorinated Aromatics
• Canonical SMILES: C1=CC=C(C(=C1)Cl)Cl
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])Cl)Cl)[2H])[2H]
• Uses: Isotope labelled 1,2-Dichlorobenzene is a side product of the production of chlorobenzene. It is applied in NMR spectroscopy.

Technology Process of 1,2-Dichlorobenzene-D4

There total 2 articles about 1,2-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:

→ 1,2‐dichlorobenzene‐d4 (2199-69-1)

Guidance literature:

Reference yield:

1,2-dichloro-benzene (95-50-1) → 1,2‐dichlorobenzene‐d4 (2199-69-1)

Guidance literature:

With Et₃Si⁺[CHB₁₁H₅Br₆]^-; hexadeuterobenzene; at 20 ℃; for 1h; Reagent/catalyst; Catalytic behavior; Glovebox;

DOI:10.1021/jacs.2c00080

Reference yield:

1,1,1,3,5,5,5-heptamethyltrisiloxan (1873-88-7) + 1,2‐dichlorobenzene‐d4 (2199-69-1) → C13H21(2)H3Cl2O2Si3 + C6H(2)H3Cl2

Guidance literature:

With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 2.9-dimethyl-1,10-phenanthroline; In tetrahydrofuran; at 80 ℃; for 0.0833333h;

DOI:10.1021/jacs.0c03301

upstream raw materials:

1,2-dichloro-benzene

Refernces