1-Nitro-3,5-bis(trifluoromethyl)benzene

Basic Information

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CAS Number

328-75-6

Molecular Formula

C8H3F6NO2

Molecular Weight

259.1 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

Basic Physical Properties

Boiling Point

72°C/6.8mmHg

Flash Point

77 ºC

Refractive Index

1.426-1.428

SMILES

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

InChI

InChI=1S/C8H3F6NO2/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)15(16)17/h1-3H

InChIKey

GMUWJDVVXLBMEZ-UHFFFAOYSA-N

LogP

4.15560

Complexity

272

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

H227

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

H227 Combustible liquid
Flammable liquids

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

.alpha.,.alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-Hexafluoro-5-nitro-m-xylene
3,5-bistrifluoromethylnitrobenzene
1,3-Bis(trifluoromethyl)-5-nitrobenzene
SY020745
B1422
FT-0614468
DTXSID80186472
3,5-bis-trifluoromethylnitrobenzene
1-Nitro-3,5-bis-trifluoromethyl-benzene
alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-5-nitroxylene
1-Nitro-3,5-bis(trifluoromethyl)benzene #
3,5-Bis(trifluoromethyl)nitrobenzene
1-Nitro-3,5-bis(trifluoromethyl)benzene
CS-W012526
GMUWJDVVXLBMEZ-UHFFFAOYSA-
3,5-bis(trifluoromethyl) nitrobenzene
3.5-Di(trifluoromethylnitro)benzene
PS-10420
Benzene, 1-nitro-3,5-bis(trifluoromethyl)-
5-Nitro-1,3-bis(trifluoromethyl)benzene
A821480
InChI=1/C8H3F6NO2/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)15(16)17/h1-3H
3,5-di(Trifluoromethyl)nitrobenzene
NS00041537
A5876
328-75-6
EINECS 206-336-6
MFCD00000384
W-106812
SCHEMBL1996062
AKOS015852813

MDL Number

MFCD00000384

Customs Code

2904909090

FAQ

What are the physical and chemical properties of 1-Nitro-3,5-bis(trifluoromethyl)benzene (CAS: 328-75-6)?

1-Nitro-3,5-bis(trifluoromethyl)benzene (CAS: 328-75-6) is a crystalline, yellow solid with a molecular weight of approximately 276.06 g/mol. It has a low solubility in water but is more soluble in organic solvents such as dichloromethane and acetonitrile. Chemically, it is relatively stable but can undergo nitro group reduction under certain conditions. It is an important intermediate in various organic synthesis processes.

How is 1-Nitro-3,5-bis(trifluoromethyl)benzene (CAS: 328-75-6) typically synthesized?

1-Nitro-3,5-bis(trifluoromethyl)benzene is typically synthesized via nitration of 3,5-bis(trifluoromethyl)benzene with concentrated nitric acid in the presence of sulfuric acid as a catalyst. The reaction is usually performed under controlled conditions to achieve good yield and selectivity. The product can then be purified using standard techniques such as recrystallization.

What industries use 1-Nitro-3,5-bis(trifluoromethyl)benzene (CAS: 328-75-6)?

1-Nitro-3,5-bis(trifluoromethyl)benzene (CAS: 328-75-6) is used in the pharmaceutical industry for the synthesis of certain medicinal compounds. It is also applied in the polymer industry as a precursor for fluorinated polymers, in sensor technology for its unique spectroscopic properties, and in semiconductor manufacturing for its use in etching and other processes.

What precautions should be taken when handling 1-Nitro-3,5-bis(trifluoromethyl)benzene (CAS: 328-75-6)?

When handling 1-Nitro-3,5-bis(trifluoromethyl)benzene (CAS: 328-75-6), it is important to use appropriate personal protective equipment (PPE) such as gloves and safety goggles. The substance should be handled in a well-ventilated area or a fume hood to avoid inhaling fumes. Spills should be cleaned up using appropriate absorbent materials, and proper disposal methods should be followed. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.