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196622

Sigma-Aldrich

2,5-Difluoronitrobenzene

97%

Synonym(s):

1,4-Difluoro-2-nitrobenzene

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About This Item

Linear Formula:
F2C6H3NO2
CAS Number:
364-74-9
Molecular Weight:
159.09
EC Number:
206-663-4
MDL number:
MFCD00007054
UNSPSC Code:
12352100
PubChem Substance ID:
24851776
NACRES:
NA.22

Assay

97%

form

liquid

refractive index

n20/D 1.509 (lit.)

bp

206.5 °C (lit.)

mp

−11.7 °C (lit.)

density

1.467 g/mL at 25 °C (lit.)

SMILES string

[O-][N+](=O)c1cc(F)ccc1F

InChI

1S/C6H3F2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H

InChI key

XNJAYQHWXYJBBD-UHFFFAOYSA-N

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Application

2,5-Difluoronitrobenzene was used in the synthesis of :
  • N-alkylated 2-arylaminobenzimidazoles
  • quinoxalinones
  • N-(2-nitro-4-fluorophenyl)-l,2,3,4-tetrahydroisoquinoline

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

194.0 °F - closed cup

Flash Point(C)

90 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

196622-25G:
196622-VAR:
196622-5G:
196622-100G:
196622-BULK:

Certificates of Analysis (COA)

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H E Haenen et al.
Chemico-biological interactions, 98(2), 97-112 (1995-11-17)
Proximal tubular biotransformation of the glutathionyl (GSH) conjugate derived from 2,5-difluoronitrobenzene (5-fluoro-2-glutathionyl-nitrobenzene) was studied by means of 19F-NMR. This method allows a direct and specific detection of the fluorinated metabolites formed, at a detection limit of 1 microM for an
Manuel A V Ribeiro da Silva et al.
The journal of physical chemistry. B, 114(40), 12914-12925 (2010-09-24)
This work reports the experimental and computational thermochemical study performed on three difluorinated nitrobenzene isomers: 2,4-difluoronitrobenzene (2,4-DFNB), 2,5-difluoronitrobenzene (2,5-DFNB), and 3,4-difluoronitrobenzene (3,4-DFNB). The standard (p° = 0.1 MPa) molar enthalpies of formation in the liquid phase of these compounds were
A solid phase traceless synthesis of quinoxalinones.
Krchnak V, et al.
Tetrahedron Letters, 41(16), 2835-2838 (2000)
Ring-opening reactions of N-aryl-, 1, 2, 3, 4-tetrahydroisoquinoline derivatives.
Andrew HK and Stanforth SP.
Tetrahedron, 48(4), 743-750 (1992)
A solid phase traceless synthesis of 2-arylaminobenzimidazoles.
Krchnak V, et al.
Tetrahedron Letters, 42(9), 1627-1630 (2001)
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