1-Bromotridecane

Base Information

• Chemical Name: 1-Bromotridecane
• CAS No.: 765-09-3
• Molecular Formula: C13H27 Br
• Molecular Weight: 263.261
• European Community (EC) Number: 212-138-0
• NSC Number: 87870
• DSSTox Substance ID: DTXSID6049355
• Nikkaji Number: J45.691H
• Wikidata: Q63392077
• ChEMBL ID: CHEMBL3183299
• Mol file: 765-09-3.mol

Synonyms:1-Bromotridecane;765-09-3;Tridecyl bromide;Tridecane, 1-bromo-;n-Tridecyl-1-bromide;1-bromo-tridecane;EINECS 212-138-0;NSC 87870;BRN 1739992;DTXSID6049355;4-01-00-00514 (Beilstein Handbook Reference);n-Tridecyl bromide;tridecylbromide;C13H27Br;1-Bromotridecane, 98%;SCHEMBL584962;WLN: E13;CHEMBL3183299;DTXCID3029314;NSC87870;Tox21_202870;MFCD00000227;NSC-87870;AKOS009031591;GS-6322;NCGC00260416-01;CAS-765-09-3;LS-157142;B0935;CS-0168435;FT-0607550;1-Bromotridecane, technical, >=98.0% (GC);H10622;A838731;Q63392077;3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-yl-propan-1-amine

Chemical Property of 1-Bromotridecane

Chemical Property:

• Appearance/Colour: light yellow liquid
• Vapor Pressure: 0.00322mmHg at 25°C
• Melting Point: 4-7 °C(lit.)
• Refractive Index: n20/D 1.459(lit.)
• Boiling Point: 148-150 °C10 mm Hg(lit.)
• Flash Point: 110 ºC
• PSA: 0.00000
• Density: 1.03
• LogP: 5.69230
• Storage Temp.: 2-8°C
• Solubility.: Chloroform, Methanol
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 11
• Exact Mass: 262.12961
• Heavy Atom Count: 14
• Complexity: 91.2

Purity/Quality:

99% ^*data from raw suppliers

1-Bromotridecane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCBr
• Uses: 1-Bromotridecane is a long chain alkyl bromide with skin sensitization potency. 1-Bromotridecane may potentially enhance plant stimulator activity.

Technology Process of 1-Bromotridecane

There total 15 articles about 1-Bromotridecane 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: 92.0%

n-tetradecanoic acid (544-63-8) → 1-bromotridecane (765-09-3)

Guidance literature:

With bromine; mercury(II) oxide; In tetrachloromethane; for 1.5h; Heating;

DOI:10.1016/0040-4020(96)00278-5

Reference yield: 88.0%

tridecan-1-ol (112-70-9) → 1-bromotridecane (765-09-3)

Guidance literature:

With carbon tetrabromide; In dichloromethane; at -30 - 20 ℃;

DOI:10.2478/s11696-012-0245-0

Reference yield:

→ 1-bromotridecane (765-09-3)

Guidance literature:

With bromine;

DOI:10.1039/jr9390001855

upstream raw materials:

formaldehyde ditridecylacetal

tridecan-1-ol

1-tridecene

n-tetradecanoic acid

Downstream raw materials:

1-tridecyl-pyridinium; bromide

α-tridecylmalonic acid

tridecan-1-ol

pentadec-1-yne

Refernces

• 1、 -. "NON-COORDINATING ANION ACTIVATORS CONTAINING A CATION WITH LONG CHAIN ALKOXY FUNCTIONALIZATION". Paragraph 0372. . Retrieved 2021/05/07.
• 2、 Ho, Jonathan Z.,Wallace, Michael A.,Tang, Yui S.,Zhang, Andy S.,Braun, Matthew P.. "Synthesis of [14C] acids from their unlabeled counterparts and application toward a novel [14C] labeled hepatitis C virus polymerase inhibitor". . p. 251 - 253. Retrieved 2011/05/02.