1-Bromodocosane

Base Information

• Chemical Name: 1-Bromodocosane
• CAS No.: 6938-66-5
• Deprecated CAS: 1465759-09-4
• Molecular Formula: C22H45 Br
• Molecular Weight: 389.503
• European Community (EC) Number: 230-069-4
• NSC Number: 53991
• DSSTox Substance ID: DTXSID3064510
• Nikkaji Number: J208.045A
• Wikidata: Q72455212
• Mol file: 6938-66-5.mol

Synonyms:1-Bromodocosane;6938-66-5;Docosane, 1-bromo-;Behenyl bromide;Docosyl bromide;C22H45Br;EINECS 230-069-4;n-Docosyl bromide;docosylbromide;2-Chloro-3-pyridineaceticacid;SCHEMBL318151;C22-H45-Br;DTXSID3064510;NSC53991;MFCD00013543;NSC 53991;NSC-53991;AKOS015843178;B0392;CS-0152202;FT-0607526;A22880;F11114;EN300-6494012;5-(p-nitrophenyl)-2-furaldehyde;5-(P-Nitrophenyl)-2-furancarbaldehyde

Chemical Property of 1-Bromodocosane

Chemical Property:

• Appearance/Colour: off-white solid
• Vapor Pressure: 4.55E-10mmHg at 25°C
• Melting Point: 44-46 °C(lit.)
• Refractive Index: 1.4821 (estimate)
• Boiling Point: 225 °C0.6 mm Hg(lit.),403.8 °C at 760 mmHg
• Flash Point: 169.1 °C
• Density: 0.962 g/cm³
• Storage Temp.: 0-10°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 12.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 20
• Exact Mass: 388.27046
• Heavy Atom Count: 23
• Complexity: 190

Purity/Quality:

98% ^*data from raw suppliers

1-Bromodocosane ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCBr
• Uses: 1-Bromodocosane can be used as a fire-extinguishing encapsulation device.

Technology Process of 1-Bromodocosane

There total 6 articles about 1-Bromodocosane 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: 91.2%

1-docosanol (661-19-8) → 1-Bromodocosane (6938-66-5)

Guidance literature:

With phosphorus tribromide; In dichloromethane; at 100 ℃; for 4h; Inert atmosphere;

DOI:10.1039/c6ra18638f

Reference yield: 74.0%

2-<(docosyloxy)sulfonyl>-N,N,N-trimethylethanaminium fluorosulfate → 1-Bromodocosane (6938-66-5)

Guidance literature:

With NBr; In water; at 25 ℃; for 3.5h;

DOI:10.1021/ja00389a038

Reference yield:

docosyl-phenyl ether (859314-31-1) → 1-Bromodocosane (6938-66-5)

Guidance literature:

With water; hydrogen bromide; acetic acid;

upstream raw materials:

1-docosanol

docosyl-phenyl ether

1-phenoxy-docosan-4-one

1-octadecylmagnesium bromide

Downstream raw materials:

tricosanenitrile

tetratetracontane

dimethyl hexadecanedioate

4,4'-didocosoxybenzophenone

Refernces

• 1、 Hussein, Mohanad A.,Nguyen, Thanh Vinh. "Promotion of Appel-type reactions by N-heterocyclic carbenes". supporting information. p. 7962 - 7965. Retrieved 2019/07/12.
• 2、 Wen, Hui,Gong, Xiaohui,Han, Pei,Lin, Baoping,Zhang, Lei,Ye, Shanghui,Sun, Ying,Zhang, Xueqin,Yang, Hong. "Solution-processable small molecule semiconductors based on pyrene-fused bisimidazole and influence of alkyl side-chain on the charge transport". . p. 69277 - 69281. Retrieved 2016/08/05.