CAS 327-92-4|1,5-Difluoro-2,4-dinitrobenzene|1,5-difluoro-2,4-dinitrobenzene|1,5-difluoro-2,4-dinitrobenzene|1,3-DIFLUORO-4,6-DINITROBENZENE|1,5-Difluoro-2,4-dinitrobenzene 97%|1,5-Difluoro-2,4-dini...

Molecular Formula

C₆H₂F₂N₂O₄

Molecular Mass

204.0878864

Exact Mass

203.99826299

InChI

InChI=1S/C6H2F2N2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H

InChIKey

VILFTWLXLYIEMV-UHFFFAOYSA-N

Canonic Smiles

Fc1cc(F)c(cc1[N+](=O)[O-])[N+](=O)[O-]

Isomeric Smiles

c1(c(cc(c(c1)F)[N+](=O)[O-])[N+](=O)[O-])F

JChem

Acid pKa

15.763959

H Acceptors

H Donor

LogD (pH = 5.5)

2.138618

LogD (pH = 7.4)

2.138618

Log P

2.138618

Molar Refractivity

39.1318

Polarizability

14.0465355

Polar Surface Area

86.28

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

67598

Synonyms

1,5-Difluoro-2,4-dinitrobenzene1,3-DIFLUORO-4,6-DINITROBENZENE1,5-Difluoro-2,4-dinitrobenzene 97%1,5-Difluoro-2,4-dinitrobenzene1,5-二氟-2,4-二硝基苯DFDNBFFDNB

IUPAC Traditional name

1,5-difluoro-2,4-dinitrobenzene

IUPAC name

1,5-difluoro-2,4-dinitrobenzene

Beilstein Number

1883116

MDL Number

MFCD00007052

MSDS Link

Download link

TSCA Listed

false

是

Storage Warning

TOXIC

Very Toxic/Harmful

GHS Signal Word

Danger

European Hazard Symbols

Toxic (T)

German water hazard class

Risk Statements

23/24/25-33

21-25-36/38-43

Hazard Class

6.1

Packing Group

RID/ADR

UN 2811 6.1/PG 2

Personal Protective Equipment

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

UN Number

2811

UN2811

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

RTECS

CZ5663200

Safety Statements

36/37/39-45

24-26-36/37-45

GHS Hazard statements

H300-H311-H331-H373

H300-H311-H315-H319-H317

GHS Precautionary statements

P261-P264-P280-P301+P310-P311

P261-P301+P310-P305+P351+P338-P361-P405-P501A

Product Information

Purity

97%

≥98.0% (HPLC)

Certificate of Analysis

Download link

Linear Formula

F2C6H2(NO2)2

Physical Property

No Data Available

Click here to submit data

No Data Available

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Apollo Scientific

PC2770

Protein cross-linking agent.J. Biol. Chem., 971, 246, 6489 also: Biochem.Biophysics. Res. Commun., 1973, 53, 302.

MP Biomedicals

05210004

MP Biomedicals Rare Chemical collection

Sigma Aldrich

D102504

Packaging
10 g in glass bottle

36930

Other Notes
Cross-linking agent for proteins1,2

From Data Sources

• Reagent for cross-linking of proteins: Biochem. J., 185, 787 (1980).

Academic Data

PubChem

67598

Synonyms

1,5-Difluoro-2,4-dinitrobenzene1,3-DIFLUORO-4,6-DINITROBENZENE1,5-Difluoro-2,4-dinitrobenzene 97%1,5-Difluoro-2,4-dinitrobenzene1,5-二氟-2,4-二硝基苯DFDNBFFDNB

IUPAC Traditional name

1,5-difluoro-2,4-dinitrobenzene

IUPAC name

1,5-difluoro-2,4-dinitrobenzene

Beilstein Number

1883116

MDL Number

MFCD00007052

Apollo Scientific

PC2770

Protein cross-linking agent.J. Biol. Chem., 971, 246, 6489 also: Biochem.Biophysics. Res. Commun., 1973, 53, 302.

MP Biomedicals