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2,5-Difluoronitrobenzene

2,5-Difluoronitrobenzene structure

CAS No:
364-74-9
Formula:
C6H3F2NO2
Chemical Name:
2,5-Difluoronitrobenzene
Synonyms:
Benzene,1,4-difluoro-2-nitro-;1,4-Difluoro-2-nitrobenzene;2,5-Difluoronitrobenzene;2,5-Difluoro-1-nitrobenzene;2-Nitro-1,4-difluorobenzene;NSC 528657
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

CLEAR YELLOW LIQUID

2,5-Difluoronitrobenzene Basic Attributes

Molecular Weight：

159.09

Exact Mass：

159.09

BRN：

2210200

EC Number：

206-663-4

NSC Number：

528657

DSSTox ID：

DTXSID60189921

HScode：

2904909090

Characteristics

PSA：

45.8

XLogP3：

1.8

Appearance：

Clear yellow Liquid

Density：

1.5±0.1 g/cm3

Melting Point：

-11.7 °C

Boiling Point：

206.5 °C

Flash Point：

194 °F

Refractive Index：

1.510

Water Solubility：

H2O: insoluble

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2810

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

RTECS Number：

CZ5715000

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

Drug Information

MeSH Entry Terms：

2,5-difluoronitrobenzene

2,5-Difluoronitrobenzene Use and Manufacturing

Methods of 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).

Uses

Intermediate for medicine, pesticide, liquid crystal material.

Computed Properties

Molecular Weight:159.09
XLogP3:1.8
Hydrogen Bond Acceptor Count:4
Exact Mass:159.01318466
Monoisotopic Mass:159.01318466
Topological Polar Surface Area:45.8
Heavy Atom Count:11
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2,5-Difluoronitrobenzene

CAS No.: 364-74-9

Content: 99.00%

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2,5-Difluoronitrobenzene

CAS No.: 364-74-9

Grade: Industrial Grade

Content: 99%

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