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549940

Sigma-Aldrich

6-Chlorohexanoyl chloride

96%

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About This Item

Linear Formula:
Cl(CH2)5COCl
CAS Number:
19347-73-0
Molecular Weight:
169.05
EC Number:
242-979-9
MDL number:
MFCD00041436
UNSPSC Code:
12352100
PubChem Substance ID:
24874734
NACRES:
NA.22

Assay

96%

refractive index

n20/D 1.4640 (lit.)

density

1.400 g/mL at 25 °C (lit.)

SMILES string

ClCCCCCC(Cl)=O

InChI

1S/C6H10Cl2O/c7-5-3-1-2-4-6(8)9/h1-5H2

InChI key

WZILXAPNPKMOSA-UHFFFAOYSA-N

Application

6-Chlorohexanoyl chloride may be used in the following processes:
  • Preparation of tert-butyl-N-(2-(6-chlorovaleryl)phenyl)carbamate, an intermediate for synthesizing the ketone analog of 2-amino-N-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)-butyl)benzamide hydrochloride.
  • Preparation of (S)-(-)6-chlorohexanoic acid (2-methoxymethylpyrrolidin-1-yl)amide, a precursor for synthesizing 2-alkyl-substituted lactones.
  • Deprotection and acylation of the pendant nitrogen during the preparation of a new cryptand with hydroxamate moiety that can bind with tribasic cations.

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Supplementary Hazards

EUH014

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Enantioselective Synthesis of 2-Substituted 6-and 7-Membered Lactones via a-Alkylation of Lactone Hydrazones.
Enders D, et al.
Synthesis, 1995(08), 947-951 (1995)
Analogues of the potential antipsychotic agent 1192U90: amide modifications.
Navas III F, et al.
Bioorganic & Medicinal Chemistry, 6(6), 811-823 (1998)

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