1-Chloro-2,4-difluorobenzene
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1-Chloro-2,4-difluorobenzene
structure -
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CAS No:
1435-44-5
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Formula:
C6H3ClF2
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Chemical Name:
1-Chloro-2,4-difluorobenzene
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Synonyms:
Benzene,1-chloro-2,4-difluoro-;1-Chloro-2,4-difluorobenzene;2,4-Difluorochlorobenzene;NSC 10254;2,4-Difluorophenyl chloride;2,4-Difluoro-1-chlorobenzene
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CAS No:
1-Chloro-2,4-difluorobenzene Basic Attributes
148.54
148.54
2081077
-0
10254
DTXSID10162441
29039990
Characteristics
0
2.8
1.353 g/cm3 @ Temp: 20 °C
127 °C
127 °C(lit.)
91 °F
n 20/D 1.475(lit.)
Flammables area
Safety Information
III
3
UN 1993 3/PG 3
2
10-36/37/38
16-26-36/37/39
Xi,F
Flammable
P261-P305 + P351 + P338
H226-H315-H319-H335
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 50 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-Chloro-2,4-difluorobenzene Use and Manufacturing
General procedure: A FEP or PFA reactor equipped with a Teflon-lined magnetic stir bar and connected to a gas-washing bottle was charged with substituted benzene (0.95–1.10 mmol), 1, 1, 1, 3, 3-pentafluorobutane (1–2 mL per mmol of C6H5R), and BF3 · Et2O (1.3–1.5 mmol per mmol of C6H5R). The mixture was stirred for 10–15 min at 0–5°C (ice bath), and XeF2 (1.2–1.3 mmol per mmol of C6H5R) was added in portions. After addition of each portion, the mixture was stirred for 3–5 min at 22–25°C and cooled again. When the addition was complete the dark solution was stirred for 15–30 min at 22–25°C, 10percent aqueous KHCO3 was added, and the upper organic layer was separated, passed through a short column charged with silica gel (40–60 μm), and dried over MgSO4. The solution was analyzed by 19F NMR and GC/MS. The main products are given in table, and the others are listed below (GC/MS data).
Computed Properties
Molecular Weight:148.54
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Exact Mass:147.9891341
Monoisotopic Mass:147.9891341
Heavy Atom Count:9
Complexity:97.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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