structure of 3-Fluoro-2-nitrobenzoic acid

3-Fluoro-2-nitrobenzoic acid

CAS No.: 1000339-51-4
M. Wt: 185.109
M. Fa: C7H4FNO4
InChI Key: DTGONJAUUOWYGB-UHFFFAOYSA-N
Appearance: Grayish white solid

Names and Identifiers of 3-Fluoro-2-nitrobenzoic acid

CAS Number

1000339-51-4

EC Number

630-243-3

MDL Number

MFCD07368342

IUPAC Name

3-fluoro-2-nitrobenzoic acid

InChI

InChI=1S/C7H4FNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11)

InChIKey

DTGONJAUUOWYGB-UHFFFAOYSA-N

Canonical SMILES

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

UNSPSC Code

12352100

Physical and chemical properties of 3-Fluoro-2-nitrobenzoic acid

Acidity coefficient

1.85±0.10(Predicted)

Boiling Point

354.2±27.0 °C at 760 mmHg

Density

1.6±0.1 g/cm3

Exact Mass

185.012436

Flash Point

168.0±23.7 °C

Index of Refraction

1.588

LogP

1.51

Molecular Formula

C7H4FNO4

Molecular Weight

185.109

PSA

83.12000

Sensitivity

Air Sensitive

Storage condition

2-8°C

Vapour Pressure

0.0±0.8 mmHg at 25°C

Safety Information of 3-Fluoro-2-nitrobenzoic acid

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 3-Fluoro-2-nitrobenzoic acid

3-Fluoro-2-nitrobenzoic acid finds applications in various fields:

  • Pharmaceuticals: It serves as an intermediate in the synthesis of pharmaceutical compounds due to its potential biological activity.
  • Chemical Research: Utilized in studies related to organic synthesis and reaction mechanisms involving aromatic compounds.
  • Material Science: Its derivatives may be used in developing polymers or materials with specific properties due to their unique chemical structure.

Physical sample testing spectrum (NMR) of 3-Fluoro-2-nitrobenzoic acid

Physical sample testing spectrum (NMR) of 3-Fluoro-2-nitrobenzoic acid