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188735

Sigma-Aldrich

3,5-Dichlorobenzyl alcohol

98%

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About This Item

Linear Formula:
Cl2C6H3CH2OH
CAS Number:
60211-57-6
Molecular Weight:
177.03
EC Number:
262-109-1
MDL number:
MFCD00004634
UNSPSC Code:
12352100
PubChem Substance ID:
24851172
NACRES:
NA.22

Quality Level

100

Assay

98%

form

solid

mp

79-82 °C (lit.)

functional group

chloro
hydroxyl

SMILES string

OCc1cc(Cl)cc(Cl)c1

InChI

1S/C7H6Cl2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2

InChI key

VSNNLLQKDRCKCB-UHFFFAOYSA-N

Related Categories

Application

3,5-Dichlorobenzyl alcohol was used in the preparation of 3,5-dichlorophenylacetonitrile via reaction with boiling SOCl2, followed by reaction with NaCN. It was also used in the synthesis of tert-butyl 2-cyano-3-(3,5-dichlorophenyl)-propanoate via Iridium-catalysed alkylation of tert-butyl cyanoacetate.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

188735-VAR:
188735-25G:
188735-BULK:
188735-5G:

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Certificates of Analysis (COA)

Lot/Batch Number
SHBC2335V
SHBB6855V
SHBC1338V
SHBB6260V
SHBB6259V

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Iridium catalysed alkylation of tert-butyl cyanoacetate with alcohols under solvent free conditions.
Grigg R, et al.
Tetrahedron, 65(4), 849-854 (2009)
Esben R Sørensen et al.
Archiv der Pharmazie, 338(7), 299-304 (2005-07-05)
The HIV-1 inhibitors described in this paper is closely related to 6-(3,5-dimethylbenzyl)-1-(ethoxy methyl)-5-isopropyluracil (GCA-186) an anti-HIV-1 drug that is highly active against both wild type and mutated HIV-1 strains. The two methyl groups on the 6-benzyl moiety have been shown

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