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79260

Supelco

(S)-3-(4-Chloro-3-fluorophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-trifluoromethylphenyl)propionamide

analytical standard

Synonym(s):

S-6

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About This Item

Empirical Formula (Hill Notation):
C17H13ClF4N2O5
CAS Number:
Molecular Weight:
436.74
Beilstein/REAXYS Number:
9733029
MDL number:
UNSPSC Code:
41116107
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

assay

≥98.0% (HPLC)

optical purity

enantiomeric excess: ≥96.0%

shelf life

limited shelf life, expiry date on the label

composition

carbon content, 46.75%
hydrogen content, 3.00%
nitrogen content, 6.41%

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

application(s)

forensics and toxicology
pharmaceutical (small molecule)

format

neat

SMILES string

C[C@](O)(COc1ccc(Cl)c(F)c1)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O

InChI

1S/C17H13ClF4N2O5/c1-16(26,8-29-10-3-4-12(18)13(19)7-10)15(25)23-9-2-5-14(24(27)28)11(6-9)17(20,21)22/h2-7,26H,8H2,1H3,(H,23,25)/t16-/m0/s1

InChI key

LVWMWYCDQNZFKV-INIZCTEOSA-N

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable


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