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Merck
CN

46877

2-Fluoro-3,3-dimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide

≥98.0% (F)

Synonym(s):

2,3-Dihydro-3,3-dimethyl-2-fluoro-1,2-benzisothiazole 1,1-dioxide, N-Fluoro-2,α-cumenesultam

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About This Item

Empirical Formula (Hill Notation):
C9H10FNO2S
CAS Number:
124170-23-6
Molecular Weight:
215.24
Beilstein:
4746973
MDL number:
MFCD00142913
UNSPSC Code:
12352100
PubChem Substance ID:
57650875
NACRES:
NA.22

Key Documents

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Assay

≥98.0% (F)

form

solid

mp

115-117 °C

solubility

THF: soluble(lit.)
acetonitrile: soluble(lit.)
diethyl ether: soluble(lit.)
organic solvents: soluble(lit.)

SMILES string

CC1(C)N(F)S(=O)(=O)c2ccccc12

InChI

1S/C9H10FNO2S/c1-9(2)7-5-3-4-6-8(7)14(12,13)11(9)10/h3-6H,1-2H3

InChI key

VMDJWSACUFRJRE-UHFFFAOYSA-N

Other Notes

Convenient reagent for electrophilic fluorination

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

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

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Certificates of Analysis (COA)

Lot/Batch Number
BCBP9924V
1344207V
1344207
1308096
1124512

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E. Differding et al.
Tetrahedron Letters, 32, 3819-3819 (1991)
E. Differding et al.
Tetrahedron Letters, 32, 1779-1779 (1991)
Simon E Ward et al.
Journal of medicinal chemistry, 54(1), 78-94 (2010-12-07)
A novel series of AMPAR positive modulators is described that were identified by high throughput screening. The molecules of the series have been optimized from a high quality starting point hit to afford excellent developability, tolerability, and efficacy profiles, leading

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