1-Nitro-4-(trifluoromethoxy)benzene

Basic Information

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CAS Number

713-65-5

Molecular Formula

C7H4F3NO3

Molecular Weight

207.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

15°C

Boiling Point

60°C/4mmHg

Density

1.447

Water Solubility

Not miscible or difficult to mix in water.

Flash Point

87-89℃/15mm

Refractive Index

1.467

SMILES

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C1=CC(=CC=C1[N+](=O)[O-])OC(F)(F)F

InChI

InChI=1S/C7H4F3NO3/c8-7(9,10)14-6-3-1-5(2-4-6)11(12)13/h1-4H

InChIKey

UBEIKVUMDBCCRW-UHFFFAOYSA-N

LogP

3.01660

Complexity

205

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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 IRRITANT Class IRRITANT

Synonyms & References

English

1-nitro-4-(trifluoromethyloxy)-benzene
1-Nitro-4-trifluoromethoxy-benzene
MFCD00040302
Benzene, 1-nitro-4-(trifluoromethoxy)-
SCHEMBL693976
4-nitro-1-trifluoromethoxybenzene
4-(Trifluoromethoxy)nitrobenzene
T2155
DS-14603
1-Nitro-4-trifluoromethoxybenzene
A9349
4-Trifluoromethoxynitrobenzene
CS-W015281
Alpha,alpha,alpha-trifluoro-4'-nitroanisole
AM62085
p-nitro (trifluoromethoxy) benzene
AC-9728
713-65-5
p-nitrotrifluoroanisole
1-Nitro-4-(trifluoromethoxy)benzene
DTXSID10334944
FT-0616894
AKOS005593929
UBEIKVUMDBCCRW-UHFFFAOYSA-
SY016259
P-NITROTRIFLUOROMETHOXYBENZENE
InChI=1/C7H4F3NO3/c8-7(9,10)14-6-3-1-5(2-4-6)11(12)13/h1-4H
EN300-227134
F21451
PB43338
4-Nitro-1-trifluoromethoxybenzene

MDL Number

MFCD00040302

Customs Code

2909309090

FAQ

What are the physical and chemical properties of 1-Nitro-4-(trifluoromethoxy)benzene (CAS: 713-65-5)?

1-Nitro-4-(trifluoromethoxy)benzene (CAS: 713-65-5) is a crystalline solid with a molecular weight of approximately 220.05 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. This compound is reactive towards nucleophiles and reducing agents. It is commonly used in the synthesis of pharmaceuticals and electronic materials due to its unique electronic properties.

How is 1-Nitro-4-(trifluoromethoxy)benzene (CAS: 713-65-5) typically synthesized?

1-Nitro-4-(trifluoromethoxy)benzene (CAS: 713-65-5) is typically synthesized via a nitration process of 4-(trifluoromethoxy)benzene using a mixture of nitric acid and sulfuric acid. The reaction is carried out under fuming nitric acid conditions to ensure high selectivity and yield. Commonly, the use of a phase transfer catalyst is employed to improve the reaction rate and purity of the product.

What industries use 1-Nitro-4-(trifluoromethoxy)benzene (CAS: 713-65-5)?

1-Nitro-4-(trifluoromethoxy)benzene (CAS: 713-65-5) is used in various industries, particularly in pharmaceuticals and electronics. It serves as a key intermediate in the synthesis of drugs and is also utilized in the production of electronic materials due to its unique chemical and physical properties. Additionally, it is employed in the development of sensors and semiconductor materials.

What precautions should be taken when handling 1-Nitro-4-(trifluoromethoxy)benzene (CAS: 713-65-5)?

When handling 1-Nitro-4-(trifluoromethoxy)benzene (CAS: 713-65-5), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight and sources of ignition. Fume hoods should be used during handling to avoid inhalation of vapors. In case of a spill, use appropriate absorbent materials and follow the safety data sheet (SDS) guidelines for disposal. Always refer to the latest SDS for detailed safety information.