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1,3-Difluoro-2-nitrobenzene

1,3-Difluoro-2-nitrobenzene structure

CAS No:
19064-24-5
Formula:
C6H3F2NO2
Chemical Name:
1,3-Difluoro-2-nitrobenzene
Synonyms:
Benzene,1,3-difluoro-2-nitro-;1,3-Difluoro-2-nitrobenzene;2,6-Difluoronitrobenzene;2,6-Difluoro-1-nitrobenzene
Categories:
Organic Chemistry > Organic Fluorine Compound

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1,3-Difluoro-2-nitrobenzene Basic Attributes

Molecular Weight：

159.09

Exact Mass：

159.09

EC Number：

242-793-8

DSSTox ID：

DTXSID00172559

HScode：

2904909090

Characteristics

PSA：

45.8

XLogP3：

Appearance：

White liquid with light yellow

Density：

1.5±0.1 g/cm3

Melting Point：

74 °C

Boiling Point：

91-92 °C11 mm Hg(lit.)

Flash Point：

190 °F

Refractive Index：

1.510

Water Solubility：

Slightly soluble in water.

Safety Information

wgk germany：

hazard class code：

10-36/37/38

safety instructions：

16-26-36-37/39

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1,3-Difluoro-2-nitrobenzene Use and Manufacturing

Methods of Manufacturing

Step 1: Step 1: A mixture of sodium perborate tetrahydrate (65 g, 422 mmol) in glacial acetic acid (250 mL) was stirred at 80° C. 2, 6-Difluoroaniline (11.0 g, 85 mmol) in glacial acetic acid (50 mL) was added slowly to the mixture. The temperature was maintained between 80-90° C. for 1 hour. The cooled reaction mixture was poured into water and extracted twice with diethyl ether. The combined organic layers were washed with a dilute solution of sodium bicarbonate, dried over anhydrous magnesium sulfate and evaporated. The residue was purified via Biotage chromatography (FlasH90i, silica, 10percent THF/hexane) and the product washed with hexane to afford 2, 6-difluoronitrobenzene (7.0 g) (52percent). MS (ESI) m/z 160 ([M+H]

Uses

Intermediate for medicine, pesticide, liquid crystal material.

Computed Properties

Molecular Weight:159.09
XLogP3:2
Hydrogen Bond Acceptor Count:4
Exact Mass:159.01318466
Monoisotopic Mass:159.01318466
Topological Polar Surface Area:45.8
Heavy Atom Count:11
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-Difluoro-2-nitrobenzene

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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1,3-Difluoro-2-nitrobenzene

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