815-59-8

Basic information

• Product Name: 2-fluoropropanediamide
• CAS NO: 815-59-8
• Molecular Formula: C₃H₅FN₂O₂
• Molecular Weight: 120.0824
• Mol File: 815-59-8.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 475.1°C at 760 mmHg
• Flash Point: 241.2°C
• Density: 1.404g/cm³
• Vapor Pressure: 3.41E-09mmHg at 25°C
• Refractive Index: 1.455
• CAS DataBase Reference: 2-fluoropropanediamide(CAS DataBase Reference)
• NIST Chemistry Reference: 2-fluoropropanediamide(815-59-8)
• EPA Substance Registry System: 2-fluoropropanediamide(815-59-8)

Safety Data

• Hazardous Substances Data: 815-59-8(Hazardous Substances Data)

Upstream product

• 664-38-0 fluoro-fluoroacetyl-malonic acid diethyl ester 
• 680-65-9 diethyl 2,2-difluoromalonate 
• 685-88-1 fluoromalonic acid diethyl ester 
• 541-41-3 chloroformic acid ethyl ester 
• 758-62-3 1,1,2,3,3-pentafluoro-1,3-dimethoxy-propane 

Downstream Products

• 1959-84-8 Fluor-malonsaeure-dihydrazid 
• 159029-28-4 1,3-diamino-2-fluoropropane 

Relevant articles and documents

COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE

The invention relates to the compounds of formula (I): and pharmaceutically acceptable salts thereof, wherein R1, R2 and X are as defined in the description and claims, which are useful for the treatment or prophylaxis of RSV infection.

Infrared and Raman spectra, vibrational assignment, and ab initio calculations of fluoromalononitrile

The infrared spectra (3500-80 cm-1) of gaseous and solid and the Raman spectra (3500-30 cm-1) of liquid with quantitative depolarization values and solid fluoromalononitrile, FHC(CN)2, have been recorded. These spectra have been interpreted in detail and a complete vibrational assignment is proposed based on infrared band contours, depolarization values, and relative infrared and Raman intensities. The assignment is supported by a normal coordinate calculation based upon force constants obtained from MP2/6-31G* ab initio calculations. Also, from these calculations the predicted infrared and Raman spectra have been obtained. The C-H bond distance is predicted to be 1.096 A from the isolated carbon-hydrogen stretching frequency. Optimized geometric parameters have been obtained from RHF/6-31G*, MP2/6-31G* and MP2/6-311 + + G** ab initio calculations. These results are discussed and compared with those obtained for some similar molecules.