ChemicalBook > CAS DataBase List > 4-Amino-3-nitrobenzotrifluoride

4-Amino-3-nitrobenzotrifluoride

Product Name
4-Amino-3-nitrobenzotrifluoride
CAS No.
400-98-6
Chemical Name
4-Amino-3-nitrobenzotrifluoride
Synonyms
2-NITRO-4-(TRIFLUOROMETHYL)ANILINE;2-Nitro-4-trifluoromethyl-phenylamine;BUTTPARK 75\04-39;TIMTEC-BB SBB003488;2-NITRO-ALPHA,ALPHA,A;3-NITRO-4-AMINOBENZOTRIFLUORIDE;4-AMINO-3-NITROBENZOTRIFLUORIDE;3-nitro-4-aminotrifluorotoluene;4-TRIFLUOROMETHYL 2-NITROANILINE;4-Amino-3-nitrobenzotrifluoride98%
CBNumber
CB7735576
Molecular Formula
C7H5F3N2O2
Formula Weight
206.12
MOL File
400-98-6.mol
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4-Amino-3-nitrobenzotrifluoride Property

Melting point:
105-106 °C(lit.)
Boiling point:
265.6±40.0 °C(Predicted)
Density 
1.4711 (estimate)
storage temp. 
Keep in dark place,Inert atmosphere,Room temperature
solubility 
soluble in Methanol,Toluene
pka
-2.54±0.10(Predicted)
form 
Crystals or Crystalline Powder
color 
Yellow to golden
BRN 
650808
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
SMILES
C1(N)=CC=C(C(F)(F)F)C=C1[N+]([O-])=O
CAS DataBase Reference
400-98-6(CAS DataBase Reference)
NIST Chemistry Reference
Aniline, 2-nitro-4-trifluoromethyl-(400-98-6)
EPA Substance Registry System
Benzenamine, 2-nitro-4-(trifluoromethyl)- (400-98-6)
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Safety

Hazard Codes 
Xn,Xi
Risk Statements 
20/21/22-36/37/38
Safety Statements 
26-36/37
RIDADR 
UN2811
WGK Germany 
3
Hazard Note 
Irritant
TSCA 
TSCA listed
HazardClass 
6.1
PackingGroup 
III
HS Code 
29214300
Storage Class
13 - Non Combustible Solids
Hazard Classifications
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H311Toxic in contact with skin

H312Harmful in contact with skin

H315Causes skin irritation

H319Causes serious eye irritation

H332Harmful if inhaled

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P309IF exposed or if you feel unwell:

P310Immediately call a POISON CENTER or doctor/physician.

P403+P233Store in a well-ventilated place. Keep container tightly closed.

P405Store locked up.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TCI Chemical
Product number
A0376
Product name
4-Amino-3-nitrobenzotrifluoride
Purity
>99.0%(GC)
Packaging
25g
Price
$141
Updated
2025/07/31
TRC
Product number
A619068
Product name
4-Amino-3-nitrobenzotrifluoride
Packaging
10g
Price
$75
Updated
2021/12/16
AK Scientific
Product number
J92078
Product name
4-Amino-3-nitrobenzotrifluoride
Packaging
5g
Price
$10
Updated
2021/12/16
Matrix Scientific
Product number
001847
Product name
4-Amino-3-nitrobenzotrifluoride
Purity
97%
Packaging
25g
Price
$21
Updated
2021/12/16
SynQuest Laboratories
Product number
4855-3-03
Product name
4-Amino-3-nitrobenzotrifluoride
Purity
98%
Packaging
25g
Price
$25
Updated
2021/12/16
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4-Amino-3-nitrobenzotrifluoride Chemical Properties,Usage,Production

Chemical Properties

White to yellow crystal powder

Uses

4-Amino-3-nitrobenzotrifluoride can be used as pharmaceutical and pesticide intermediates.

Synthesis

396-12-3

400-98-6

N-(2-nitro-4-(trifluoromethyl)phenyl)acetamide (109.5 g, 0.5 mol) was used as a raw material and was mixed with 94% sulfuric acid solution (171.5 g) at a stirring rate of 550 rpm, and the reaction temperature was controlled to be 28 °C. Subsequently, 98% nitric acid solution (32.5 g, 0.51 mol) was added dropwise to the mixture at a dropwise acceleration rate of 40 g/min. After the dropwise addition, the nitrification reaction was continued for 2 hours. After completion of the reaction, the reaction system was heated to 80°C and the deacetylation reaction was carried out for 5 hours to obtain the deacetylated product. The deacetylation product was cooled to below 45°C and slowly added to ice water to precipitate the solid. The resulting solid was filtered and washed, followed by alkaline washing with 10% aqueous sodium hydroxide solution until the pH of the filtrate reached 7, terminating the alkaline washing process. The alkali washed solid was dried at 55 °C for 4.5 h. 104 g of 4-trifluoromethoxy-2-nitroaniline was finally obtained, which was analyzed by GC with a purity of 98.5% and a yield of 94%.

References

[1] Kogyo Kagaku Zasshi, 1959, vol. 62, p. 706,708
[2] Chem. Zentralbl., 1960, vol. 131, p. 7854
[3] Journal of Medicinal Chemistry, 1995, vol. 38, # 10, p. 1786 - 1792
[4] Organic and Biomolecular Chemistry, 2016, vol. 14, # 9, p. 2645 - 2650
[5] Patent: CN107032965, 2017, A. Location in patent: Paragraph 0081; 0084; 0085; 0095; 0099; 0100; 0111; 0112

4-Amino-3-nitrobenzotrifluoride Preparation Products And Raw materials

Raw materials

Preparation Products

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4-Amino-3-nitrobenzotrifluoride Suppliers

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View Lastest Price from 4-Amino-3-nitrobenzotrifluoride manufacturers

Shaanxi Dideu New Materials Co. Ltd
Product
4-Amino-3-nitrobenzotrifluoride 400-98-6
Price
US $0.00-0.00/KG
Min. Order
1KG
Purity
98.0%
Supply Ability
10000KGS
Release date
2025-07-01
Shaanxi Dideu Medichem Co. Ltd
Product
4-Amino-3-nitrobenzotrifluoride 400-98-6
Price
US $0.00-0.00/KG
Min. Order
50mg
Purity
99%HPLC
Supply Ability
2000tons
Release date
2020-01-08
Shaanxi Dideu Medichem Co. Ltd
Product
4-Amino-3-nitrobenzotrifluoride 400-98-6
Price
US $1.00-12.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
1000KG
Release date
2024-07-26

400-98-6, 4-Amino-3-nitrobenzotrifluorideRelated Search:

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