2-Fluoro-5-Nitrobenzonitrile | CAS No. 17417-09-3

2-Fluoro-5-Nitrobenzonitrile

Basic Information

CAS Number

17417-09-3

Molecular Formula

C7H3FN2O2

Molecular Weight

166.11 g/mol

AD

Basic Physical Properties

Melting Point

71.0 to 75.0 deg-C

Boiling Point

94°C/0.5mmHg

Flash Point

111.4℃

C1=CC(=C(C=C1[N+](=O)[O-])C#N)F

InChI

InChI=1S/C7H3FN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H

InChIKey

YLACBMHBZVYOAP-UHFFFAOYSA-N

LogP

2.12878

Complexity

229

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302
H312H312
H315H315
H319H319
H332H332
H335H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H312 Harmful in contact with skin
Acute toxicity, dermal
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H332 Harmful if inhaled
Acute toxicity, inhalation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

  • 2-fluoro-5-nitro benzonitrile
  • EN300-115309
  • AC-4088
  • MFCD00042299
  • 2-Fluoro-5-nitrobenzonitrile, 97%
  • 2-fluoro-5-nitro-benzonitrile
  • 2-Fluoro-5-nitrobenzonitrile
  • DTXSID20334011
  • J-509464
  • A1547
  • 5-nitro-2-fluoro-benzonitrile
  • 3-Cyano-4-fluoronitrobenzene
  • Benzonitrile, 2-fluoro-5-nitro-
  • AS-15010
  • AB01914
  • AM61376
  • 17417-09-3
  • AKOS025395587
  • AKOS000266568
  • SCHEMBL594390
  • CS-D0997
  • F0550
  • FT-0612369
  • 5-nitro-2-fluorobenzonitrile
  • 2-Fluoro-5-nitrobenzenenitrile
  • 2-fluoro-5-nitro-bezonitrile
  • 3-Cyano-4-fluoro-1-nitrobenzene
  • BUTTPARK 33\08-18
  • Fluoro-5-nitrobenzonitrile
  • 2-Fluoro-5-nitrobenzonitrile97%
  • 2-Fluoro-5-nitrobenzonitrile 97%

MDL Number

MFCD00042299

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 2-Fluoro-5-Nitrobenzonitrile (CAS: 17417-09-3)?

2-Fluoro-5-Nitrobenzonitrile is a crystalline solid with a molecular weight of approximately 214.05 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. This compound is relatively stable but can undergo nucleophilic substitution reactions. It is commonly used in organic synthesis and as an intermediate in the production of pharmaceuticals and dyes.

How is 2-Fluoro-5-Nitrobenzonitrile (CAS: 17417-09-3) typically synthesized?

2-Fluoro-5-Nitrobenzonitrile can be synthesized through the nitration of 2-fluorobenzonitrile followed by a selective reduction of the nitro group. This typically involves the use of concentrated nitric acid and sulfuric acid as the nitrating agent, with controlled conditions to achieve the desired product. The reaction is monitored to ensure selectivity and yield.

What industries use 2-Fluoro-5-Nitrobenzonitrile (CAS: 17417-09-3)?

2-Fluoro-5-Nitrobenzonitrile is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those requiring fluorine-containing functional groups. It is also utilized in the production of dyes and pigments. Additionally, it finds applications in the preparation of materials for sensors and semiconductors due to its chemical properties.

What precautions should be taken when handling 2-Fluoro-5-Nitrobenzonitrile (CAS: 17417-09-3)?

Handling 2-Fluoro-5-Nitrobenzonitrile requires strict safety measures. It should be stored in a cool, dry place away from heat and sources of ignition. PPE such as gloves and goggles should be worn. Fume hoods should be used during handling to minimize exposure. In case of a spill, it should be handled according to the Safety Data Sheet (SDS) guidelines.

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