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190691

Sigma-Aldrich

3-Fluorobenzamide

99%

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About This Item

Linear Formula:
FC6H4CONH2
CAS Number:
Molecular Weight:
139.13
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:

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

Signal Word

Warning

Hazard Statements

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


Certificates of Analysis (COA)

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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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