1,3-Dinitro-5-(trifluoromethyl)benzene

Basic Information

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CAS Number

401-99-0

Molecular Formula

C7H3F3N2O4

Molecular Weight

236.1 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

Melting Point

47.0 to 51.0 deg-C

Boiling Point

127-129 ºC (9 torr)

Flash Point

>110°C

Refractive Index

1.517

SMILES

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

InChI

InChI=1S/C7H3F3N2O4/c8-7(9,10)4-1-5(11(13)14)3-6(2-4)12(15)16/h1-3H

InChIKey

QZADIXWDDVQVKM-UHFFFAOYSA-N

LogP

3.56820

Complexity

274

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

W-106379
3,5-Dinitrobenzotrifluoride, 99%
EN300-16857
3,5-Dinitro-alpha,alpha,alpha-trifluorotoluene
NS00043144
MFCD00007233
AM20060919
DUR43C87YU
FT-0614719
AI3-28908
1,3-Dinitro-5-trifluoromethyl-benzene
Benzene, 1,3-dinitro-5-(trifluoromethyl)-
Z56796598
AC-2899
alpha,alpha,alpha-Trifluoro-3,5-dinitrotoluene
DTXSID40193142
CHEMBL380842
EINECS 206-935-2
BDBM50182126
401-99-0
SCHEMBL1005841
3,5-Dinitrobenzotrifluoride
PS-10451
D2699
1,3-dinitro-5-(trifluoromethyl)benzene
AKOS001022943
3,5-Dinitrotrifluorotoluene
1,3-Dinitro-5-(trifluoromethyl)-benzene
1,3-DINITRO-5-(TRIFLUOROMETHYL)BENZENE
1-trifluoromethyl-3,5-dinitrobenzene
3,5-Dinitrobenzotrif

MDL Number

MFCD00007233

FAQ

What is 1,3-Dinitro-5-(trifluoromethyl)benzene (CAS: 401-99-0)?

1,3-Dinitro-5-(trifluoromethyl)benzene is a nitro compound with the chemical formula C8H3F3N2O4. It is an oily, colorless to light yellow liquid with a molecular weight of 269.09. This compound is highly reactive and has strong oxidizing properties.

What are the main uses of 1,3-Dinitro-5-(trifluoromethyl)benzene (CAS: 401-99-0)?

1,3-Dinitro-5-(trifluoromethyl)benzene is primarily used as a starting material for the synthesis of other compounds. It is also used in the pharmaceutical industry as an intermediate for the production of certain drugs. Its strong reactivity makes it useful in specialized chemical reactions.

Is 1,3-Dinitro-5-(trifluoromethyl)benzene (CAS: 401-99-0) safe?

1,3-Dinitro-5-(trifluoromethyl)benzene is toxic and should be handled with care. It can cause respiratory irritation and skin sensitization. Proper protective equipment, such as gloves, goggles, and a respirator, must be worn during handling. Safety data sheets (SDS) should be consulted for detailed safety information.

How should 1,3-Dinitro-5-(trifluoromethyl)benzene (CAS: 401-99-0) be stored?

1,3-Dinitro-5-(trifluoromethyl)benzene should be stored in a cool, dry place away from direct sunlight and heat sources. Store in a tightly sealed container to prevent exposure to air and light. Avoid contact with water and incompatible materials such as acids. The storage temperature should be below 25°C (77°F) and the container should be kept in a well-ventilated area to prevent the accumulation of flammable vapors.