3,4-Diaminofluorobenzene Chemical Properties

Melting point:

94-98 °C

Boiling point:

266.1±20.0 °C(Predicted)

Density 

1.284±0.06 g/cm3(Predicted)

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

solubility 

DMSO (Slightly), Methanol (Slightly)

form 

Solid

pka

4.22±0.10(Predicted)

color 

deep brown

Water Solubility 

Slightly soluble in water.

Sensitive 

Light Sensitive

BRN 

2081075

InChI

InChI=1S/C6H7FN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2

InChIKey

KWEWNOOZQVJONF-UHFFFAOYSA-N

SMILES

C1(N)=CC=C(F)C=C1N

CAS DataBase Reference

367-31-7(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

RIDADR 

UN2811

WGK Germany 

3

F 

8

Hazard Note 

Irritant

HazardClass 

6.1

PackingGroup 

III

HS Code 

29215110

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

3,4-Diaminofluorobenzene Usage And Synthesis

Chemical Properties

White to brown powder

Uses

4-Fluoro-o-phenylenediamine is used as pharmaceutical intermediate.

Synthesis

General procedure for the synthesis of 4-fluoro-1,2-benzenediamine from 5-fluoro-2-nitroaniline: a methanol solution of 5-fluoro-2-nitroaniline (0.32 M) was added to a palladium/carbon catalyst (5% w/w, 10% w). The reaction mixture was stirred for 2 h at room temperature under hydrogen atmosphere (50 psi). Upon completion of the reaction, the mixture was filtered to remove the catalyst and the filtrate was concentrated to afford 4-fluoro-1,2-benzenediamine in 90% yield as a brown oil. Mass spectrometry (electrospray positive ion mode) analysis: the theoretical molecular weight of C6H7FN2 was 126 and the measured value was 127 (M + H)+.

References

[1] Macromolecules, 2005, vol. 38, # 2, p. 297 - 306
[2] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1994, # 19, p. 2751 - 2758
[3] Patent: WO2010/13037, 2010, A1. Location in patent: Page/Page column 67
[4] Synlett, 2018, vol. 29, # 13, p. 1765 - 1768
[5] Tetrahedron, 2017, vol. 73, # 27-28, p. 3898 - 3904

3,4-Diaminofluorobenzene(367-31-7)Related Product Information

• N-Methylbenzene-1,2-diamine
• 4-Fluoronitrobenzene
• p-Phenylenediamine
• 4-Fluoroaniline
• 4-Bromo-1,2-benzenediamine
• 4-Chloro-o-phenylenediamine
• m-Phenylenediamine
• OPD EASY-tablets
• o-Phenylenediamine
• 4-Bromofluorobenzene
• 4-Fluorophenol
• 4-fluorobenzene-1,2-diamine
• 4'-FLUORO-2'-NITROACETANILIDE
• 4-CHLORO-5-FLUORO-O-PHENYLENEDIAMINE
• 5-Fluoro-2-nitroaniline
• 5-CHLORO-4-FLUORO-2-NITROANILINE
• 1,2-DIAMINO-4,5-DIFLUOROBENZENE
• 2,4-DINITRO-5-FLUOROANILINE