2-nitro-4-(trifluoromethyl)benzonitrile

Basic Information

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CAS Number

778-94-9

Molecular Formula

C8H3F3N2O2

Molecular Weight

216.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

44-47 °C

Boiling Point

156-158 °C/18 mmHg

Density

1.5604 (estimate)

SMILES

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C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C#N

InChI

InChI=1S/C8H3F3N2O2/c9-8(10,11)6-2-1-5(4-12)7(3-6)13(14)15/h1-3H

InChIKey

BQCWLXXZTCLGSZ-UHFFFAOYSA-N

LogP

3.00848

Complexity

301

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

EN300-749011
NSC 88323
TD1112
AC-7725
2-Nitro-4-(trifluoromethyl)benzonitrile, 99%
W-104293
NSC88323
EC 212-298-1
2-Nitro-4-(trifluoromethyl)benzonitrile
CS-W014864
2-nitro4-trifluoromethylbenzonitrile
Benzonitrile, 2-nitro-4-(trifluoromethyl)-
P-TOLUNITRILE, .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-2-NITRO-
2-nitro-4-trifluoromethyl benzonitrile
NSC-88323
Q27276946
EINECS 212-298-1
DTXSID40228423
MFCD00014684
AKOS005063753
NS00003626
AM20041168
FT-0613162
778-94-9
SCHEMBL463657
2-nitro-4-trifluoromethylbenzonitrile
UNII-E6Z0MKD079
4-Cyano-3-nitrobenzotrifluoride
A9834
2-Nitro-4-trifluoromethyl-benzonitrile
E6Z0MKD079

MDL Number

MFCD00014684

FAQ

What regulatory guidelines apply to 2-nitro-4-(trifluoromethyl)benzonitrile (CAS: 778-94-9)?

2-nitro-4-(trifluoromethyl)benzonitrile (CAS: 778-94-9) falls under the classification of a hazardous chemical. Regulatory guidelines include the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which applies in terms of physical hazards, health hazards, and environmental hazards. In the European Union, it is regulated under the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulation. Additionally, for use in the United States, it is managed under the Toxic Substances Control Act (TSCA) and the Occupational Safety and Health Administration (OSHA) standards for workplace safety.

Are there alternatives to 2-nitro-4-(trifluoromethyl)benzonitrile (CAS: 778-94-9) in synthesis?

There are several alternatives to 2-nitro-4-(trifluoromethyl)benzonitrile in synthetic chemistry. Commonly used analogs include 2-(trifluoromethyl)benzonitrile or related substituted benzonitriles. For some applications, analogous compounds like 3-nitro-4-(trifluoromethyl)benzonitrile or 4-(trifluoromethyl)benzonitrile can serve as effective substitutes. These alternatives may offer similar functionality but with different electronic properties, which can be advantageous depending on the specific chemical reaction conditions.

What is the market or research trend for 2-nitro-4-(trifluoromethyl)benzonitrile (CAS: 778-94-9)?

The market for 2-nitro-4-(trifluoromethyl)benzonitrile (CAS: 778-94-9) is influenced by its widespread use in the synthesis of pharmaceuticals and agrochemicals. Recent research trends have focused on exploring its potential in medicinal chemistry, particularly in the development of new drugs. Market trends indicate a steady demand, driven by ongoing pharmaceutical and agricultural research. However, due to its hazardous nature, there is also a growing focus on developing safer alternatives and more sustainable synthetic routes.

How should waste containing 2-nitro-4-(trifluoromethyl)benzonitrile (CAS: 778-94-9) be handled?

Waste containing 2-nitro-4-(trifluoromethyl)benzonitrile (CAS: 778-94-9) should be managed according to environmental protection regulations. It is advisable to collect waste in sealed, labeled containers and ensure proper segregation from other waste streams. Disposal methods include incineration, chemical neutralization, or professional hazardous waste disposal services. Handling procedures should comply with GHS guidelines and local regulatory requirements to prevent environmental contamination and ensure worker safety. Proper waste management is crucial for minimizing the ecological impact of this compound.