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133329

Formanilide

Name: Formanilide
Brand: ALDRICH

99%

Synonym(s):

N-Phenylformamide

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About This Item

Linear Formula:

C₆H₅NHCHO

CAS Number:

103-70-8

Molecular Weight:

121.14

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24848101

EC Number:

203-136-0

Beilstein/REAXYS Number:

906934

MDL number:

MFCD00003276

Assay:

99%

Form:

powder

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Properties

Quality Level

100

assay

99%

form

powder

bp

166 °C/14 mmHg (lit.)

mp

46-48 °C (lit.)

solubility

water: soluble 25.4 g/L at 20 °C, water: soluble 28.6 g/L at 25 °C

density

1.144 g/mL at 25 °C (lit.)

SMILES string

O=CNc1ccccc1

InChI

1S/C7H7NO/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)

InChI key

DYDNPESBYVVLBO-UHFFFAOYSA-N

Description

Application

Formanilide was used to study the zero electron kinetic energy(ZEKE) spectra of cis- and trans-formanilide. It was used to investigate the gas-phase structures of the two isomers of the trans-formanilide-water complex by two-colour (1+1′) resonance enhanced multiphoton ionisation (REMPI) and ZEKE spectroscopy.

Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

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ZEKE photoelectron spectroscopy of the cis and trans isomers of formanilide.

Susanne Ullrich et al.

Angewandte Chemie (International ed. in English), 41(1), 166-168 (2002-12-20)

Hydration of a cationic amide group: a ZEKE spectroscopic study of trans-formanilide-H₂O.

Ullrich S, et al.

Physical Chemistry Chemical Physics, 4(13), 2897-2903 (2002)

Quantum energy flow and the kinetics of water shuttling between hydrogen bonding sites on trans-formanilide.

Johnson K Agbo et al.

The Journal of chemical physics, 127(6), 064315-064315 (2007-08-21)

A potential energy surface for trans-formanilide (TFA)-H2O is calculated and applied to study energy flow in the complex as well as the kinetics of water shuttling between hydrogen bonding sites on TFA. In addition to the previously identified H2O-TFA(C[Double Bond]O)

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Global Trade Item Number

SKU	GTIN
133329-100G	04061838729453