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Merck
CN

771333

Diethyl 4-(trifluoromethyl)benzylphosphonate

97%

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About This Item

Empirical Formula (Hill Notation):
C12H16F3O3P
CAS Number:
99578-68-4
Molecular Weight:
296.22
MDL number:
MFCD09836731
UNSPSC Code:
12352100
PubChem Substance ID:
329767489
NACRES:
NA.22

Key Documents

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Assay

97%

form

liquid

reaction suitability

reaction type: Buchwald-Hartwig Cross Coupling Reaction
reaction type: Heck Reaction
reaction type: Hiyama Coupling
reaction type: Negishi Coupling
reaction type: Sonogashira Coupling
reaction type: Stille Coupling
reaction type: Suzuki-Miyaura Coupling

refractive index

n20/D 1.456

density

1.227 g/mL at 25 °C

functional group

fluoro
phosphonate

SMILES string

O=P(OCC)(OCC)CC1=CC=C(C(F)(F)F)C=C1

InChI

1S/C12H16F3O3P/c1-3-17-19(16,18-4-2)9-10-5-7-11(8-6-10)12(13,14)15/h5-8H,3-4,9H2,1-2H3

InChI key

NTQKMIQYHZLRSW-UHFFFAOYSA-N

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBL8512

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