1,4-Difluoro-2-methylbenzene
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1,4-Difluoro-2-methylbenzene
structure -
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CAS No:
452-67-5
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Formula:
C7H6F2
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Chemical Name:
1,4-Difluoro-2-methylbenzene
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Synonyms:
Benzene,1,4-difluoro-2-methyl-;Toluene,2,5-difluoro-;1,4-Difluoro-2-methylbenzene;2,5-Difluorotoluene;NSC 25757
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CAS No:
1,4-Difluoro-2-methylbenzene Basic Attributes
128.12
128.12
2041492
207-205-6
7K9PUS3HC7
25757
DTXSID10196423
2903999090
Safety Information
Ⅱ
3
UN 1993 3/PG 2
3
11
16-29-33
F,F+
Flammable
Stable. Incompatible with strong oxidizing agents.
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
H225
1,4-Difluoro-2-methylbenzene Use and Manufacturing
General procedure: A glass reactor equipped with a Teflon-lined magnetic stir bar and connected to a gas-washing bottle was charged with C6H5R (0.95–1.14 mmol), MeCN (1–2.5 mL per mmol of C6H5R), and BF3 · Et2O (1.3–1.6 mmol per mmol of C6H5R). The solution was stirred for 10–15 min at –25°C, and XeF2 (1.2–1.3 mmol per mmol of C6H5R) was added in portions. The mixture was allowed to warm up to 22°C over a period of 1 h and stirred for 40–60 min more, hexafluorobenzene (internal standard) was added, and a sample was withdrawn for 19F NMR analysis (procedure B). The mixture was treated with a saturated aqueous solution of NaHCO3 and extracted with methylene chloride (1–2 mL). The extract was dried over MgSO4 and analyzed by 19F and GC/MS (procedure C). The main products are given in table, and the others are listed below (GC/MS data).
Computed Properties
Molecular Weight:128.12
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Exact Mass:128.04375652
Monoisotopic Mass:128.04375652
Heavy Atom Count:9
Complexity:92.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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