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190691

Sigma-Aldrich

3-Fluorobenzamide

99%

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About This Item

Linear Formula:
FC6H4CONH2
CAS Number:
455-37-8
Molecular Weight:
139.13
EC Number:
207-247-5
MDL number:
MFCD00007983
UNSPSC Code:
12352100
PubChem Substance ID:
24851456

assay

99%

form

solid

mp

129-132 °C (lit.)

SMILES string

NC(=O)c1cccc(F)c1

InChI

1S/C7H6FNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)

InChI key

YPIGHNIIXYSPKF-UHFFFAOYSA-N

Application

3-Fluorobenzamide has been used in the synthesis of N-(3-fluorobenzoyl)-N′,N′′-bis(4-methylphenyl)phosphoric triamide.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
08303EH
00226HE
08903AD
20501KA
12626MU

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Mehrdad Pourayoubi et al.
Acta crystallographica. Section E, Structure reports online, 67(Pt 11), o3034-o3034 (2012-01-06)
In the title compound, C(21)H(21)FN(3)O(2)P, the NH and P(=O) groups of the C(=O)NHP(=O) fragment are in a syn arrangement with respect to each other, as are the two amide H atoms of the two CH(3)-4-C(6)H(4)-NH moieties. In the crystal, mol-ecules

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