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

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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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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

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400-98-6

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Amines

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Aniline

Trifluoromethylbenzene serise