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218111

Sigma-Aldrich

2-Chloro-6-fluorobenzyl chloride

98%

Synonym(s):

2,α-Dichloro-6-fluorotoluene

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About This Item

Linear Formula:
ClC6H3(F)CH2Cl
CAS Number:
55117-15-2
Molecular Weight:
179.02
EC Number:
259-487-5
MDL number:
MFCD00000896
UNSPSC Code:
12352100
PubChem Substance ID:
24853046
NACRES:
NA.22

Assay

98%

form

liquid

refractive index

n20/D 1.537 (lit.)

density

1.401 g/mL at 25 °C (lit.)

SMILES string

Fc1cccc(Cl)c1CCl

InChI

1S/C7H5Cl2F/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2

InChI key

MJGOLNNLNQQIHR-UHFFFAOYSA-N

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Application

2-Chloro-6-fluorobenzyl chloride was used:
  • as alkylating reagent during the synthesis of 3-benzylsulfanyl derivatives of 1,2,4-triazole and 4-methyl-1,2,4-triazole
  • in the preparataion of 2-chloro-6-fluorobenzylamine, required for the synthesis of 9-substituted adenine
  • in the preparation of aprinocid via reaction with adenine

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

200.1 °F - closed cup

Flash Point(C)

93.4 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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New synthesis of a 9-substituted adenine.
Hartman GD, et al.
The Journal of Organic Chemistry, 43(5), 960-962 (1978)
Tissue residues of arprinocid in chickens. 1. Depletion of residues in tissues of chickens fed carbon-14-labeled arprinocid.
T A Jacob et al.
Journal of agricultural and food chemistry, 30(2), 248-253 (1982-03-01)
Vera Klimesová et al.
Farmaco (Societa chimica italiana : 1989), 59(4), 279-288 (2004-04-15)
Series of 3-benzylsulfanyl derivatives of 1,2,4-triazole and 4-methyl-1,2,4-triazole were synthesized by alkylation of starting triazole-3-thiol with appropriately substituted benzyl halide. All members of the set were evaluated for in vitro antimycobacterial activity against Mycobacterium tuberculosis, M. avium, and two strains

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