2-Nitro-4-(trifluoromethyl)aniline

Basic Information

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CAS Number

400-98-6

Molecular Formula

C7H5F3N2O2

Molecular Weight

206.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

106.0 to 109.0 deg-C

Boiling Point

265.6 ℃ at 760 mmHg

Flash Point

114.4°C

Refractive Index

1.461

SMILES

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

InChI

InChI=1S/C7H5F3N2O2/c8-7(9,10)4-1-2-5(11)6(3-4)12(13)14/h1-3H,11H2

InChIKey

ATXBGHLILIABGX-UHFFFAOYSA-N

LogP

3.30020

Complexity

226

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H319

H332

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

400-98-6
AC-3700
CS-W015343
2-Nitro-4-(trifluoromethyl)aniline, 98%
InChI=1/C7H5F3N2O2/c8-7(9,10)4-1-2-5(11)6(3-4)12(13)14/h1-3H,11H2
2-nitro-4-(trifluoromethyl)benzenamine
Benzenamine, 2-nitro-4-(trifluoromethyl)-
4-trifluoromethyl-2-nitroaniline
4-(trifluoromethyl)-2-nitroaniline
JCH7KWT394
NS00043225
W-106390
Aniline, 2-nitro-4-trifluoromethyl-
AI3-26186
AM61521
AB00847
A6700
EN300-16934
MFCD00007155
BDBM626037
NSC 13396
4-Trifluoromethyl 2-nitroaniline
UNII-JCH7KWT394
Z56824355
STR00769
2-nitro-a,a,a-trifluoro-p-toluidine
NSC-9429
NSC9429
4-trifluoromethyl-2-nitro aniline
2-nitro-4-(trifluoromethyl)-aniline
4-Amino-3-nitrobenzo trifluoride

MDL Number

MFCD00007155

Customs Code

2921420090

FAQ

What are the physical and chemical properties of 2-Nitro-4-(trifluoromethyl)aniline (CAS: 400-98-6)?

2-Nitro-4-(trifluoromethyl)aniline has a crystalline form and a molecular weight of approximately 227.03 g/mol. It is slightly soluble in water and more soluble in organic solvents. This compound is known for its high reactivity, particularly towards nucleophiles and reducing agents.

How is 2-Nitro-4-(trifluoromethyl)aniline (CAS: 400-98-6) typically synthesized?

2-Nitro-4-(trifluoromethyl)aniline is typically synthesized through the nitration of 4-(trifluoromethyl)aniline. This process involves the use of a strong nitration mixture, such as a mixture of nitric acid and sulfuric acid, under controlled conditions to ensure high selectivity and yield.

What industries use 2-Nitro-4-(trifluoromethyl)aniline (CAS: 400-98-6)?

2-Nitro-4-(trifluoromethyl)aniline is used in the pharmaceutical industry for the synthesis of certain drugs, and in the chemical industry for the production of dyes and other organic compounds. It is also utilized in the sensing and semiconductor industries for specific applications.

What precautions should be taken when handling 2-Nitro-4-(trifluoromethyl)aniline (CAS: 400-98-6)?

When handling 2-Nitro-4-(trifluoromethyl)aniline, it is essential to use personal protective equipment such as gloves, safety goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be managed using appropriate spill kits, and the material safety data sheet (MSDS) should be consulted for detailed safety information.