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265187

Sigma-Aldrich

2,5-Difluorobenzaldehyde

98%

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About This Item

Linear Formula:
F2C6H3CHO
CAS Number:
2646-90-4
Molecular Weight:
142.10
MDL number:
MFCD00010327
UNSPSC Code:
12352100
PubChem Substance ID:
24856060
NACRES:
NA.22

assay

98%

form

liquid

refractive index

n20/D 1.498 (lit.)

bp

67-69 °C/17 mmHg (lit.)

density

1.308 g/mL at 25 °C (lit.)

SMILES string

Fc1ccc(F)c(C=O)c1

InChI

1S/C7H4F2O/c8-6-1-2-7(9)5(3-6)4-10/h1-4H

InChI key

VVVOJODFBWBNBI-UHFFFAOYSA-N

Related Categories

General description

The emission and absorption spectra of 2,5-difluorobenzaldehyde were studied.

Application

2,5-Difluorobenzaldehyde was used in the synthesis of fluorinated analog by Henry condensation with nitroethane.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

138.2 °F - closed cup

flash_point_c

59 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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Matthew A Parker et al.
Bioorganic & medicinal chemistry, 16(8), 4661-4669 (2008-02-26)
The lipophilicity of a set of 5-HT(2A) ligands was determined using immobilized-artificial-membrane chromatography, a method that generates values well correlated with octanol-water partition coefficients. For agonists, a highly significant linear correlation was observed between binding affinity and lipophilicity. For ligands
Spectroscopy and dynamics of the excited singlet and triplet states of 2, 3-, 2, 4-and 2, 5-difluorobenzaldehyde vapors.
Itoh, T.
Journal of Molecular Spectroscopy, 257(2), 170-176 (2009)

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