7-Bromoheptanenitrile

Base Information

• Chemical Name: 7-Bromoheptanenitrile
• CAS No.: 20965-27-9
• Molecular Formula: C7H12BrN
• Molecular Weight: 190.083
• Hs Code.: 29269095
• European Community (EC) Number: 244-128-7
• NSC Number: 60131
• DSSTox Substance ID: DTXSID5066667
• Nikkaji Number: J225.367D
• Wikidata: Q72456685
• Mol file: 20965-27-9.mol

Synonyms:7-Bromoheptanenitrile;20965-27-9;7-Bromoheptanonitrile;Heptanenitrile, 7-bromo-;6-Cyanohexyl bromide;1-bromo-6-cyanohexane;7-Bromo-heptanenitrile;MFCD00001982;7-bromanylheptanenitrile;6-bromohexylcyanide;NSC60131;7-bromo-heptanonitrile;6-Bromo Hexyl Cyanide;7-Bromoheptanenitrile, 90%;SCHEMBL395504;DTXSID5066667;EINECS 244-128-7;NSC 60131;NSC-60131;AKOS015836151;AS-80699;FT-0621369;A815049;W-107585;F0001-0749

Chemical Property of 7-Bromoheptanenitrile

Chemical Property:

• Appearance/Colour: clear yellow to yellow-brown liquid
• Vapor Pressure: 0.012mmHg at 25°C
• Refractive Index: n20/D 1.475(lit.)
• Boiling Point: 260.7 °C at 760 mmHg
• Flash Point: 111.5 °C
• PSA: 23.79000
• Density: 1.262 g/cm³
• LogP: 2.85538
• Storage Temp.: Store below +30°C.
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 189.01531
• Heavy Atom Count: 9
• Complexity: 92.3

Purity/Quality:

99% ^*data from raw suppliers

7-Bromo-heptanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 22-43-36/37/38-20/21/22
• Safety Statements: 26-36/37-36/37/39

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CCCBr)CCC#N
• Uses: 7-Bromoheptanenitrile was used in the synthesis of (±)-15-deoxyspergualin, a new immunosuppressive agent.

Technology Process of 7-Bromoheptanenitrile

There total 9 articles about 7-Bromoheptanenitrile 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: 35.0%

1 ,6-dibromohexane (629-03-8) + sodium cyanide (143-33-9,25596-52-5) → 7-bromo-heptanonitrile (20965-27-9)

Guidance literature:

In dimethyl sulfoxide; at 60 - 70 ℃; for 0.5h;

DOI:10.1002/hlca.19830660741

Reference yield: 33.0%

sodium cyanide (773837-37-9) + 1 ,6-dibromohexane (629-03-8) → 7-bromo-heptanonitrile (20965-27-9)

Guidance literature:

In isopropyl alcohol; for 15h; Reflux;

DOI:10.1002/jlcr.1951

Reference yield: 27.0%

1 ,6-dibromohexane (629-03-8) + potassium cyanide (151-50-8) → 7-bromo-heptanonitrile (20965-27-9)

Guidance literature:

In methanol; water;

upstream raw materials:

1 ,6-dibromohexane

potassium cyanide

7-hydroxyheptanenitrile

sodium cyanide

Downstream raw materials:

2,2-diphenyl-nonanedinitrile

7-Fluoroheptanenitrile

7-bromoheptanoic acid

8-(o-Chlorbenzyl)-8-phenyl-9-oxodecansaeurenitril