3-(TRIFLUOROMETHYL)BENZAMIDOXIME

CAS

40067-80-9

Catalog Number

ACM40067809

Category

Other Products

Molecular Weight

204.15

Molecular Formula

C8H7F3N2O

MSDS COA Spec Sheet

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Specification

Synonyms

3-(Trifluoromethyl)benzamidoxime, 3-Trifluoromethylbenzamideoxime, 422258_ALDRICH, JRD-1531, ZINC04290199, CID9582165, IDI1_017733, 10J-367S, N-Hydroxy-3-(trifluoromethyl)benzenecarboximidamide, 40067-80-9

IUPAC Name

N-hydroxy-3-(trifluoromethyl)benzenecarboximidamide

Canonical SMILES

C1=CC(=CC(=C1)C(F)(F)F)C(=NO)N

InChI Key

SBGBSARAGZEWGI-UHFFFAOYSA-N

Melting Point

87-90 °C(lit.)

Exact Mass

204.05100

Hazard Statements

H-Bond Acceptor

H-Bond Donor

Safety Description

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .

WGK Germany

Upstream Synthesis Route 1

368-77-4

40067-80-9

Reference: [1]Journal of Medicinal Chemistry,1967,vol. 10,p. 208 - 211
[2]Patent: US2008/318955,2008,A1 .Location in patent: Page/Page column 17
[3]Patent: WO2006/100633,2006,A1 .Location in patent: Page/Page column 51-52
[4]Angewandte Chemie - International Edition,2012,vol. 51,p. 6912 - 6915

Upstream Synthesis Route 2

368-77-4

40067-80-9

Reference: [1]European Journal of Medicinal Chemistry,2018,vol. 160,p. 207 - 228

Upstream Synthesis Route 3

368-77-4

40067-80-9

Reference: [1]Bioorganic and Medicinal Chemistry,2015,vol. 23,p. 3490 - 3498
[2]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 302 - 306
[3]Organic Letters,2016,vol. 18,p. 5412 - 5415

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