1-(Aminooxy)-2,4-dinitrobenzene

Basic Information

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CAS Number

17508-17-7

Molecular Formula

C6H5N3O5

Molecular Weight

199.12 g/mol

EINECS

241-512-6

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

yellow

Melting Point

112.5°C

Boiling Point

336.62°C (rough estimate)

Density

1.6937 (rough estimate)

Flash Point

187.9℃

Solubility

DMSO (Sparingly), Methanol (Slightly)

Refractive Index

1.6910 (estimate)

SMILES

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C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])ON

InChI

InChI=1S/C6H5N3O5/c7-14-6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H,7H2

InChIKey

YLACRFYIUQZNIV-UHFFFAOYSA-N

LogP

2.50220

pKa

-1.07±0.70(Predicted)

Complexity

235

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

O-(2,4-dinitrophenyl)-hydroxylamine
DTXSID20169926
O-(2,4-dinitrophenyl) hydroxylamine
17508-17-7
O-(2,4-Dinitrophenyl)hydroxyamine
J-523784
AKOS006275705
2,4-Nitrophenoxyamine
1-Aminooxy-2,4-dinitrobenzene
MFCD00075001
EN300-110061
Hydroxylamine, O-(2,4-dinitrophenyl)-
AC-24357
InChI=1/C6H5N3O5/c7-14-6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H,7H
CS-0020082
GS-4208
SB40752
O-(2,4-dinitro-phenyl)-hydroxylamine
EINECS 241-512-6
O-(2,4-Dinitrophenyl)hydroxylamine
NSC-148499
NSC148499
Q27280231
O-(2, 4-dinitrophenyl) hydroxylamine
2,4-Dinitrophenoxyamine
O-(2,4-Dinitrophenyl)hydroxyl-amine
O-(2,4-dinitrophenyl)hydroxylamine;2,4-Dinitrophenylhydroxylamine
NS00025747
SCHEMBL123957
I1308NOV00
BCP21724

MDL Number

MFCD00075001

EC Number

241-512-6

Customs Code

29221990

FAQ

What are the physical and chemical properties of 1-(Aminooxy)-2,4-dinitrobenzene (CAS: 17508-17-7)?

1-(Aminooxy)-2,4-dinitrobenzene is a crystalline solid with a high molecular weight of around 253.08 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and dimethylformamide. Chemically, it is highly reactive, especially towards nucleophilic substitution reactions. It is an important intermediate in the synthesis of various dyes, pharmaceuticals, and other organic compounds.

How is 1-(Aminooxy)-2,4-dinitrobenzene (CAS: 17508-17-7) typically synthesized?

1-(Aminooxy)-2,4-dinitrobenzene is typically synthesized by the reaction of dinitrobenzene with hydroxylamine hydrochloride. The reaction involves the formation of a nitroso derivative, which then undergoes an intramolecular cyclization to form the aminooxy derivative. This process requires careful control of temperature and pH to achieve high yield and selectivity.

What industries use 1-(Aminooxy)-2,4-dinitrobenzene (CAS: 17508-17-7)?

1-(Aminooxy)-2,4-dinitrobenzene is primarily used in the pharmaceutical industry as a precursor for the synthesis of various drugs. It is also utilized in the production of dyes and pigments, as well as in the development of sensors and semiconductors. Its reactivity and functionality make it a valuable intermediate in these applications.

What precautions should be taken when handling 1-(Aminooxy)-2,4-dinitrobenzene (CAS: 17508-17-7)?

When handling 1-(Aminooxy)-2,4-dinitrobenzene, it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to prevent inhalation of vapors. Spills should be cleaned up carefully using appropriate absorbent materials. Always consult the safety data sheet (SDS) for detailed emergency procedures and handling instructions.