ChemicalBook CAS DataBase List 70-34-8

70-34-8

Name	2,4-Dinitrofluorobenzene
CAS	70-34-8
EINECS(EC#)	200-734-3
Molecular Formula	C6H3FN2O4
MDL Number	MFCD00007056
Molecular Weight	186.1
MOL File	70-34-8.mol

Synonyms

1,3-DINITRO-4-FLUOROBENZENE 1-FLUORO-2,4-DINITROBENZENE 2,4-DINITRO-1-FLUOROBENZENE 2,4-DINITROFLUOROBENZENE DNF DNFB DNF OR DNFB DNPF FDNB SANGER REAGENT SANGER'S REAGENT 1,2,4-Fluorodinitrobenzene 1-fluoro-2,4-dinitro-benzen 2,4-dinitro-1-fluoro-benzen 2,4-Dinitrobenzenefluoride 2,4-Dinitrophenyl fluoride 2,4-Dnfb Benzene, 2,4-dinitro-1-fluoro- Dinitrofluorobenzene Fluoro-2,4-Dinitrobenzene

Chemical Properties

Appearance	Yellow solid
Melting point	25-27 °C(lit.)
Boiling point	178 °C25 mm Hg(lit.)
density	1.482 g/mL at 25 °C(lit.)
refractive index	n20/D 1.569(lit.)
Fp	>230 °F
storage temp.	2-8°C
solubility	chloroform: 0.1 g/mL, clear
form	Liquid or Low Melting Crystals
color	Yellow to brownish
Specific Gravity	1.482
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
Water Solubility	400 mg/L (25 ºC)
Merck	14,4172
BRN	398632
InChI	1S/C6H3FN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
Contact allergens	DNFB is a strong skin irritant and a universal contact allergen. It is used as an intermediate in the synthesis of pesticides and pharmaceuticals such as flurbiprofen, a chemical reagent, and as a topical sensitizer for the treatment of alopecia areata less more
InChIKey	LOTKRQAVGJMPNV-UHFFFAOYSA-N
SMILES	[O-][N+](=O)c1ccc(F)c(c1)[N+]([O-])=O
CAS DataBase Reference	70-34-8(CAS DataBase Reference)
NIST Chemistry Reference	Benzene, 1-fluoro-2,4-dinitro-(70-34-8)
EPA Substance Registry System	70-34-8(EPA Substance)

Safety Data

Symbol(GHS)	GHS07,GHS08
Signal word	Warning
Hazard statements	H302-H315-H317-H319-H335-H373
Precautionary statements	P280-P301+P312+P330-P302+P352-P305+P351+P338-P314
Hazard Codes	C,T
Risk Statements	R22:Harmful if swallowed. R33:Danger of cumulative effects. R34:Causes burns. R42/43:May cause sensitization by inhalation and skin contact . R40:Limited evidence of a carcinogenic effect. R23/24/25:Toxic by inhalation, in contact with skin and if swallowed . R43:May cause sensitization by skin contact. R36/38:Irritating to eyes and skin . less more
Safety Statements	S22:Do not breathe dust . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . S7/9:Keep container tightly closed and in a well-ventilated place . less more
RIDADR	UN 3261 8/PG 2
WGK Germany	3
RTECS	CZ7800000
Hazard Note	Toxic
TSCA	Yes
HazardClass	6.1
PackingGroup	III
HS Code	29049085
Storage Class	10 - Combustible liquids
Hazard Classifications	Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 Skin Sens. 1 STOT RE 2 STOT SE 3
Safety Profile	Poison by ingestion,skin contact, and subcutaneous routes. A powerful irritant and vesicant. Mutation data reported. Solutions in ether may explode when evaporated* When heated to decomposition it emits highly toxic fumes of NOx and F-. See also NITRO E COMPOUNDS of AROMATIC HYDROCARBONS and FLUORIDES. less more
Hazardous Substances Data	70-34-8(Hazardous Substances Data)

Raw materials And Preparation Products

Hazard Information

Chemical Properties

Yellow solid

Uses

A substituted benzene use in polypeptide sequencing (also referred to as Sanger’s reagent). Used in the derivitization of primary amines. Shown to inhibit the reductase activity of mitochondrial b-c1 complex isolated from beef heart mitochondria.

Definition

ChEBI: The organofluorine compound that is benzene with a fluoro substituent at the 1-position and two nitro substituents in the 2and 4-positions.

General Description

Clear yellow crystals or yellow crystalline solid.

Reactivity Profile

Reacts with oxidizing agents . When air was admitted after vacuum evaporation of an ether peroxide solution, a violent explosion occurred. A halogenated aromatic nitro compound. Aromatic nitro compounds range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.

Air & Water Reactions

Slightly soluble in water.

Fire Hazard

This chemical is probably combustible.

Biochem/physiol Actions

1-Fluoro-2,4-dinitrobenzene is a contact-sensitizing hapten, commonly used in experimental studies on contact hypersensitivity, inducing itch model, and atopic dermatitis. Mast cell activation is a key step in the DNFB induced sensitivity. DNFB covalently binds to the N-terminal amino acid of the protein and aids in Sanger sequencing.

Purification Methods

Crystallise the reagent from Et2O or EtOH. Distil it in a vacuum through a Todd Column (p 11). If it is to be purified by distillation in vacuo, the distillation unit must be allowed to cool before air is allowed into the apparatus; otherwise the residue carbonises spontaneously and an EXPLOSION may occur. The material is a skin irritant and may cause serious dermatitis. [Beilstein 5 IV 742.]

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

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