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1,2-Difluoro-3-nitrobenzene

1,2-Difluoro-3-nitrobenzene structure

CAS No:
6921-22-8
Formula:
C6H3F2NO2
Chemical Name:
1,2-Difluoro-3-nitrobenzene
Synonyms:
Benzene,1,2-difluoro-3-nitro-;1,2-Difluoro-3-nitrobenzene;2,3-Difluoronitrobenzene;2,3-Difluoro-1-nitrobenzene
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

Light yellow transparent liquid

1,2-Difluoro-3-nitrobenzene Basic Attributes

Molecular Weight：

159.09

Exact Mass：

159.09

EC Number：

230-035-9

DSSTox ID：

DTXSID90219240

HScode：

2904909090

Characteristics

PSA：

45.8

XLogP3：

1.8

Density：

1.5±0.1 g/cm3

Flash Point：

93.1±10.1 °C

Refractive Index：

1.510

Storage Conditions：

Room temperature.

Safety Information

Hazard category：

IRRITANT

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

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

To a stirred solution of hydroxy peroxide (30percent in HTo a solution of 2, 3-difluoroaniline (5.0g, 38mmol) in aqueous tetrafluoroboric acid (48percent, 18ml) was added sodium nitrite (3.9g, 57mmol) over 20min while cooling in an ice/salt bath. After lh the mixture was filtered and washed suc;cessively with aqueous tetrafluoroboric acid and a mixture of acetone/diethyl ether (40:60). The precipitate was added to a mixture of copper (8.0g, 121 mmol) and sodium nitrite (39g, 570mmol) in water (90ml) over 20min. After lh the mixture was acidified with concentrated sulphuric acid, extracted with ethyl acetate and evaporated in vacuo. The residue was purified by flash chro;matography on silica (eluant EtOAc:pet. ether 20:80); yield 1.4g (25percent).

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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2,3-Difluoronitrobenzene

CAS No.: 6921-22-8

Content: 99.00%

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Guide of 1,2-Difluoro-3-nitrobenzene

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

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