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468428

Sigma-Aldrich

4-Chloro-1,2-difluorobenzene

98%

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About This Item

Linear Formula:
ClC6H3F2
CAS Number:
696-02-6
Molecular Weight:
148.54
MDL number:
MFCD00042572
UNSPSC Code:
12352100
PubChem Substance ID:
24870515

assay

98%

refractive index

n20/D 1.475 (lit.)

bp

126 °C (lit.)

density

1.33 g/mL at 25 °C (lit.)

SMILES string

Fc1ccc(Cl)cc1F

InChI

1S/C6H3ClF2/c7-4-1-2-5(8)6(9)3-4/h1-3H

InChI key

OPQMRQYYRSTBME-UHFFFAOYSA-N

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General description

4-Chloro-1,2-difluorobenzene is a halogenated benzene derivative. Its proton shielding has been computed using ab initio methods.

Application

4-Chloro-1,2-difluorobenzene may be used in the preparation of 1-chloro-4,5-difluoro-2-nitrobenzene.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - 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

96.0 °F - closed cup

flash_point_c

35.56 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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Fumihito Muro et al.
Bioorganic & medicinal chemistry, 16(23), 9991-10000 (2008-10-28)
Optimization of benzoic acid derivatives by introducing substituents into the diphenyl urea moiety led to the identification of compound 20l as a potent VLA-4 antagonist. Compound 20l inhibited eosinophil infiltration into bronchial alveolar lavage fluid in a murine asthma model
An investigation of descriptors based on the critical points in the electron density by building quantitative structure-property relationships for proton chemical shifts.
Buttingsrud B, et al.
Journal of Molecular Structure: THEOCHEM, 810(1), 15-24 (2007)

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