trans-1,2-Dichlorocyclohexane

Base Information

• Chemical Name: trans-1,2-Dichlorocyclohexane
• CAS No.: 822-86-6
• Deprecated CAS: 23012-87-5,5183-79-9
• Molecular Formula: C6H10Cl2
• Molecular Weight: 153.051
• Hs Code.: 2903890090
• European Community (EC) Number: 212-503-4
• UNII: YRN932MS48
• DSSTox Substance ID: DTXSID7022126
• Nikkaji Number: J232.204H
• Wikidata: Q27896917
• Mol file: 822-86-6.mol

Synonyms:trans-1,2-Dichlorocyclohexane;822-86-6;(1R,2R)-1,2-dichlorocyclohexane;t-1,2-Dichlorocyclohexane;YRN932MS48;1,2-Dichlorocyclohexane, trans-;EINECS 212-503-4;Cyclohexane, 1,2-dichloro-, (1R,2R)-rel-;Cyclohexane, 1,2-dichloro-, trans-;C6-H10-Cl2;trans-1,2-Dichlorcyclohexan;UNII-YRN932MS48;C6H10Cl2;Trans-12-Dichlorocyclohexane;SCHEMBL1039600;1beta,2alpha-Dichlorocyclohexane;DTXSID7022126;GZEZIBFVJYNETN-PHDIDXHHSA-;Dichlorocyclohexane, trans-1,2-;trans-1,2-Dichlorocyclohexane, 99%;CS-0455908;D2230;1,2-DICHLOROCYCLOHEXANE, TRANS-(+/-)-;Q27896917;InChI=1/C6H10Cl2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2/t5-,6-/m1/s1

Chemical Property of trans-1,2-Dichlorocyclohexane

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 0.518mmHg at 25°C
• Melting Point: -6.1°C
• Refractive Index: n20/D 1.4917(lit.)
• Boiling Point: 198 °C at 760 mmHg
• Flash Point: 66.1 °C
• PSA: 0.00000
• Density: 1.14 g/cm³
• LogP: 2.77520
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 152.0159557
• Heavy Atom Count: 8
• Complexity: 62.9

Purity/Quality:

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

trans-1,2-Dichlorocyclohexane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC(C(C1)Cl)Cl
• Isomeric SMILES: C1CC[C@H]([C@@H](C1)Cl)Cl

Technology Process of trans-1,2-Dichlorocyclohexane

There total 56 articles about trans-1,2-Dichlorocyclohexane 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: 98.0%

cyclohexene (110-83-8) → trans-1,2-dichlorocyclohexane (822-86-6)

Guidance literature:

With dihydrogen peroxide; Vilsmeier's reagent; In methanol; dichloromethane; over 20 deg C;

DOI:10.1016/S0040-4039(00)87212-3

Reference yield: 74.8%

cyclohexene (110-83-8) → 3-chloro-cyclohexene (2441-97-6) + trans-1,2-dichlorocyclohexane (822-86-6)

Guidance literature:

With phosphorus pentachloride; for 2h;

Reference yield: 22.0%

p-Methoxyphenyl-2-chlorocyclohexyltellurium dichloride → 4-chloromethoxybenzene (623-12-1) + cis-1,2-dichloro-cyclohexane (10498-35-8) + trans-1,2-dichlorocyclohexane (822-86-6) + methoxybenzene (100-66-3)

Guidance literature:

With tert.-butylhydroperoxide; In acetic acid; for 1h; Yields of byproduct given; Heating;

DOI:10.1039/c39800001033

upstream raw materials:

cyclohexane

1-chlorocyclohexene

trans-2-chlorocyclohexanol

cis-2-chlorocyclohexanol

Downstream raw materials:

(+/-)-1r,2t,4c,5t-tetrachloro-cyclohexane

cyclohexa-1,3-diene

(3,4-Dichlorcyclohexyl)trifluoracetat

cyclohexene

Refernces

• 1、 Ding, Rui,Huang, Shuai,Wang, Qiyi,Liu, Yongguo,Sun, Baoguo,Tian, Hongyu. "Dichlorination of olefins with diphenyl sulfoxide/oxalyl chloride". supporting information. p. 2319 - 2330. Retrieved 2020/07/03.
• 2、 Zeng, Xianghua,Gong, Chunhua,Zhang, Junyong,Xie, Jingli. "Organoselenium-catalyzed vicinal dichlorination of unsaturated phosphonates". supporting information. p. 7866 - 7871. Retrieved 2016/09/12.