1,2,3-Trifluoro-5-nitrobenzene

Basic Information

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CAS Number

66684-58-0

Molecular Formula

C6H2F3NO2

Molecular Weight

177.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Physical State

Liquid

Boiling Point

208.6℃ at 760 mmHg

Density

1.517 g/mL at 25 °C

Refractive Index

n20/D 1.486(lit.)

SMILES

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C1=C(C=C(C(=C1F)F)F)[N+](=O)[O-]

InChI

InChI=1S/C6H2F3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H

InChIKey

PTTUMBGORBMNBN-UHFFFAOYSA-N

LogP

2.53530

Complexity

172

Safety Information

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GHS Hazard Pictograms

H300

Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

A1766
3,4,5-trifluoronitro benzene
T2357
AKOS009158967
SCHEMBL239666
CX1181
3,4,5-trifluronitrobenzene
CS-D1418
66684-58-0
Benzene, 1,2,3-trifluoro-5-nitro-
FT-0641089
Z452557398
AS-12424
EINECS 266-447-0
AC-7250
NS00053603
3,4,5-Trifluoronitrobenzene
DTXSID40985261
SY005361
AM20050548
3,4,5-Trifluoronitrobenzene, 97%
3,4,5-trifluoro-nitrobenzene
1,2,3-Trifluoro-5-nitrobenzene
1,2,3-trifluoro-5-nitro-benzene
MFCD00456803
EN300-45047
PTTUMBGORBMNBN-UHFFFAOYSA-N
1-Nitro-3,4,5-trifluorobenzene

MDL Number

MFCD00456803

Customs Code

2904909090

FAQ

What is 1,2,3-Trifluoro-5-nitrobenzene (CAS: 66684-58-0)?

1,2,3-Trifluoro-5-nitrobenzene (CAS: 66684-58-0) is an aromatic organic compound with the chemical formula C6H3F3NO2. It features a benzene ring substituted with three fluorine atoms at positions 1, 2, and 3, and a nitro group at position 5. This compound is known for its stability and reactivity in chemical synthesis, commonly used as an intermediate in pharmaceutical and industrial applications. Its physical properties include a high melting point and low solubility in water, with solubility primarily in organic solvents.

What are the main uses of 1,2,3-Trifluoro-5-nitrobenzene (CAS: 66684-58-0)?

1,2,3-Trifluoro-5-nitrobenzene (CAS: 66684-58-0) is widely used in the pharmaceutical industry as a building block for synthesizing drugs and agrochemicals. It serves as an intermediate in the production of pesticides, dyes, and specialty chemicals. In research, it is employed as a reagent for functional group modification and in the development of materials with tailored properties. Its unique combination of fluorine and nitro groups makes it valuable for creating compounds with enhanced stability and reactivity.

Is 1,2,3-Trifluoro-5-nitrobenzene (CAS: 66684-58-0) safe?

1,2,3-Trifluoro-5-nitrobenzene (CAS: 66684-58-0) is not considered highly toxic but requires careful handling due to potential skin and eye irritation. Safety standards recommend using appropriate protective equipment, such as gloves and safety goggles, and working in a well-ventilated area. It should be stored in a sealed container to prevent exposure to air and moisture. Always follow OSHA guidelines and consult safety data sheets (SDS) for proper handling protocols.

How should 1,2,3-Trifluoro-5-nitrobenzene (CAS: 66684-58-0) be stored?

1,2,3-Trifluoro-5-nitrobenzene (CAS: 66684-58-0) should be stored in a cool, dry place away from light and incompatible materials. It is stable under normal storage conditions but may degrade if exposed to heat or humidity. Keep in a tightly sealed container to prevent contamination and maintain chemical integrity. Storage precautions include avoiding contact with moisture and ensuring proper ventilation to minimize risks associated with handling.