structure of 2,3-Difluoro-5-methylbenzonitrile

2,3-Difluoro-5-methylbenzonitrile

CAS No.: 1003712-18-2
M. Wt: 153.129
M. Fa: C8H5F2N
InChI Key: YHCHCXBCEMMYSF-UHFFFAOYSA-N
Appearance: White Solid

Names and Identifiers of 2,3-Difluoro-5-methylbenzonitrile

CAS Number

1003712-18-2

MDL Number

MFCD09996953

IUPAC Name

2,3-difluoro-5-methylbenzonitrile

InChI

InChI=1S/C8H5F2N/c1-5-2-6(4-11)8(10)7(9)3-5/h2-3H,1H3

InChIKey

YHCHCXBCEMMYSF-UHFFFAOYSA-N

Canonical SMILES

CC1=CC(=C(C(=C1)F)F)C#N

UNSPSC Code

12352100

Physical and chemical properties of 2,3-Difluoro-5-methylbenzonitrile

Boiling Point

214.8±35.0 °C at 760 mmHg

Density

1.2±0.1 g/cm3

Exact Mass

153.039001

Flash Point

83.7±25.9 °C

Index of Refraction

1.487

LogP

1.69

Molecular Formula

C8H5F2N

Molecular Weight

153.129

PSA

23.79000

Storage condition

2-8°C

Vapour Pressure

0.2±0.4 mmHg at 25°C

Safety Information of 2,3-Difluoro-5-methylbenzonitrile

Pictograms

Signal Word

 Warning

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

Applications of 2,3-Difluoro-5-methylbenzonitrile

2,3-Difluoro-5-methylbenzonitrile serves multiple roles in various industries:

  • Pharmaceuticals: It may act as an intermediate in drug synthesis.
  • Agricultural Chemicals: Potential use in developing agrochemicals due to its structural properties.
  • Material Science: Its unique chemical properties could be exploited in developing new materials or coatings.

Physical sample testing spectrum (NMR) of 2,3-Difluoro-5-methylbenzonitrile

Physical sample testing spectrum (NMR) of 2,3-Difluoro-5-methylbenzonitrile