6-Bromohexanoyl chloride

Base Information

• Chemical Name: 6-Bromohexanoyl chloride
• CAS No.: 22809-37-6
• Deprecated CAS: 671195-25-8,1621471-13-3
• Molecular Formula: C6H10BrClO
• Molecular Weight: 213.502
• Hs Code.: 29159080
• European Community (EC) Number: 245-236-7
• UNII: 6YI1QB4VWJ
• DSSTox Substance ID: DTXSID5066829
• Nikkaji Number: J236.417D
• Wikidata: Q72456726
• Mol file: 22809-37-6.mol

Synonyms:Hexanoyl chloride, 6-bromo-;6-Bromohexanoic acid chloride;

Chemical Property of 6-Bromohexanoyl chloride

Chemical Property:

• Appearance/Colour: Clear slightly yellow liquid.
• Vapor Pressure: 0.0308mmHg at 25°C
• Refractive Index: n20/D 1.486(lit.)
• Boiling Point: 244.193 °C at 760 mmHg
• Flash Point: 88.962 °C
• PSA: 17.07000
• Density: 1.43 g/cm³
• LogP: 2.70710
• Storage Temp.: Store below +30°C.
• Water Solubility.: reacts
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 211.96036
• Heavy Atom Count: 9
• Complexity: 85.1

Purity/Quality:

95%, 99% ^*data from raw suppliers

6-Bromohexanoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C:Corrosive
• Statements: R14:; R34:
• Safety Statements: S24/25:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CCC(=O)Cl)CCBr
• Uses: 6-Bromohexanoyl chloride is used as intermediates, organic synthesis, chemical research, agrochemicals and dyestuff.

Technology Process of 6-Bromohexanoyl chloride

There total 9 articles about 6-Bromohexanoyl chloride 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: 99.0%

6-bromohexanoic acid (4224-70-8) → 6-bromohexanoyl chloride (22809-37-6)

Guidance literature:

With thionyl chloride; at 0 ℃; for 6h; Reflux;

DOI:10.1021/jacs.1c04446

Reference yield: 98.0%

→ 6-bromohexanoyl chloride (22809-37-6)

Guidance literature:

Reference yield:

methyl 3-(benzyl)propanoate (2046-17-5) → methyl 4-[4-(6-bromohexanoyl)phenyl]butyrate + 6-bromohexanoyl chloride (22809-37-6)

Guidance literature:

aluminium trichloride; In carbon disulfide;

upstream raw materials:

6-bromohexanoic acid

6-Bromhexansaeure-trimethylsilylester

hexahydro-2H-oxepin-2-one

6-bromo-1-hexanenitrile

Downstream raw materials:

N-Dodecyl-N^α-(6-bromhexanoyl)-S-benzyl-L-cysteinamid

1-bromo-5-isocyanatopentane

N-(toluene-p-sulfonyl)-3-(6-bromohexanoyl)pyrrole

tert-butyl 6-bromohexanoate

Refernces

• 1、 Kennington, Stuart C. D.,Teloxa, Saul F.,Mellado-Hidalgo, Miguel,Galeote, Oriol,Puddu, Sabrina,Bellido, Marina,Romea, Pedro,Urpí, Fèlix,Aullón, Gabriel,Font-Bardia, Mercè. "Direct and Enantioselective Aldol Reactions Catalyzed by Chiral Nickel(II) Complexes". . p. 15307 - 15312. Retrieved 2021.
• 2、 Boal, Andrew K.,Rotello, Vincent M.. "Radial control of recognition and redox processes with multivalent nanoparticle hosts". . p. 5019 - 5024. Retrieved 2002.
• 3、 -. "Lipophilic fluorescein probe and preparation method thereof". Paragraph 0060; 0063. . Retrieved 2021/04/21.