468428
4-Chloro-1,2-difluorobenzene
98%
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About This Item
Linear Formula:
ClC6H3F2
CAS Number:
Molecular Weight:
148.54
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
Assay:
98%
InChI
1S/C6H3ClF2/c7-4-1-2-5(8)6(9)3-4/h1-3H
SMILES string
Fc1ccc(Cl)cc1F
InChI key
OPQMRQYYRSTBME-UHFFFAOYSA-N
assay
98%
refractive index
n20/D 1.475 (lit.)
bp
126 °C (lit.)
density
1.33 g/mL at 25 °C (lit.)
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.
signalword
Warning
hcodes
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
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
Regulatory Information
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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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