2-Methyl-5-nitrobenzotrifluoride
- CAS No.
- 89976-12-5
- Chemical Name:
- 2-Methyl-5-nitrobenzotrifluoride
- Synonyms
- Ponatinib Impurity 6;4-NITRO-2-(TRIFLUOROMETHYL)TOLUENE;PotinibImpurity6;-5-nitrobenzotrifL;2-methyl-5-nitrotoluene;4-nitro-2-trifluorotoluen;4-nitro-2-trifluorotoluene;2-Methyl-5-nitrobenzotrifluoride;Para-methyltrifluoromethylbenzene;3-TrifluoroMethyl-4-Methylnitrobenzene
- CBNumber:
- CB4308218
- Molecular Formula:
- C8H6F3NO2
- Molecular Weight:
- 205.13
- MDL Number:
- MFCD01631684
- MOL File:
- 89976-12-5.mol
- MSDS File:
- SDS
| Melting point | 34-35 °C |
|---|---|
| Boiling point | 220.5±35.0 °C(Predicted) |
| Density | 1.357±0.06 g/cm3(Predicted) |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| form | Solid |
| color | Off-white |
| Water Solubility | Slightly soluble in water. |
| Sensitive | Moisture Sensitive |
| InChI | InChI=1S/C8H6F3NO2/c1-5-2-3-6(12(13)14)4-7(5)8(9,10)11/h2-4H,1H3 |
| InChIKey | SVQCVQCIZWSPPX-UHFFFAOYSA-N |
| SMILES | C1(C)=CC=C([N+]([O-])=O)C=C1C(F)(F)F |
| CAS DataBase Reference | 89976-12-5(CAS DataBase Reference) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H302-H312-H315-H319-H332-H335 | |||||||||
| Precautionary statements | P261-P280-P304+P340-P305+P351+P338-P405-P501a | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 20/21/22-36/37/38 | |||||||||
| Safety Statements | 23-26-36/37/39 | |||||||||
| Hazard Note | Harmful | |||||||||
| HazardClass | IRRITANT-HARMFUL | |||||||||
| HazardClass | 6.1 | |||||||||
| HS Code | 2904990090 | |||||||||
| NFPA 704 |
|
2-Methyl-5-nitrobenzotrifluoride price More Price(59)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| TCI Chemical | M2798 | 2-Methyl-5-nitrobenzotrifluoride | 89976-12-5 | 1G | $23 | 2026-04-30 | Buy |
| TCI Chemical | M2798 | 2-Methyl-5-nitrobenzotrifluoride | 89976-12-5 | 5G | $75 | 2026-04-30 | Buy |
| Apolloscientific | PC0422 | 2-Methyl-5-nitrobenzotrifluoride ≥95% | 89976-12-5 | 5g | $21 | 2026-06-04 | Buy |
| Apolloscientific | PC0422 | 2-Methyl-5-nitrobenzotrifluoride ≥95% | 89976-12-5 | 25g | $55 | 2026-06-04 | Buy |
| Apolloscientific | PC0422 | 2-Methyl-5-nitrobenzotrifluoride ≥95% | 89976-12-5 | 100g | $204 | 2026-06-04 | Buy |
2-Methyl-5-nitrobenzotrifluoride Chemical Properties, Uses, Production
Chemical Properties
light yellow or crystalline
Uses
2-METHYL-5-NITROBENZOTRIFLUORIDE can be employed as an important intermediate for raw material for organic synthesis, agrochemical, pharmaceutical and dyestuff field.
Synthesis
13630-19-8
89976-12-5
General procedure for the synthesis of 2-methyl-5-nitrobenzotrifluoride from o-toluotrifluoride: 50 g of 2-trifluoromethyltoluene and 250 g of 98% sulfuric acid were added to a 250 mL four-necked flask with stirring and cooled to 10°C. The reaction was carried out over a period of time. 50 g of 65% nitric acid was added slowly and dropwise over a period of about 2 hours to ensure complete reaction. Upon completion of the reaction, the reaction solution was poured into 200 g of crushed ice and layered with 150 mL of dichloromethane. The aqueous phase was extracted once more with 100 mL of dichloromethane and the organic phases were combined. The organic phase was washed sequentially with 80 mL of saturated sodium bicarbonate solution and 50 mL of water. Concentration to dryness gave 62 g of a light yellow oily product in 97% yield. The product did not need further purification and could be used directly in the next reaction.
References
[1] Patent: CN106316864, 2017, A. Location in patent: Paragraph 0049; 0050; 0056; 0057; 0063; 0064
2-Methyl-5-nitrobenzotrifluoride Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shanghai Harvest Chemical Industrial Co., Ltd. | 15721252604 17321035817 | sales@harvest-chem.com | China | 2829 | 64 |
| Changzhou Chemscaler Pharmtech Co., Ltd. | 0519-81096292 15312577869 | chemscaler@yahoo.com.cn | China | 300 | 60 |
| Jiaxing Deyi Chemical Co., Ltd | 0573-85866609 13325730825 | jiaxingshidy@163.com | China | 7898 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Ark Pharm, Inc. | 847-367-3680 | sales@arkpharminc.com | United States | 1669 | 56 |
| Capot Chemical Co., Ltd | +86 (0) 571 85 58 67 18 | China | 18187 | 66 | |
| Beijing Ouhe Technology Co., Ltd | 13552068683 13522913783 | 2355560935@qq.com | China | 11777 | 60 |
| JinYan Chemicals(ShangHai) Co.,Ltd. | 13817811078 | sales@jingyan-chemical.com | China | 9963 | 60 |
View Latest Price from 2-Methyl-5-nitrobenzotrifluoride manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-06-30 | 2-METHYL-5-NITROBENZOTRIFLUORIDE
89976-12-5
|
1KG | 98.0% | 10000KGS | Shaanxi Dideu New Materials Co. Ltd | ||
 |
2026-02-02 | 2-Methyl-5-nitrobenzotrifluoride
89976-12-5
|
50mg | 99%HPLC | 2000tons | Shaanxi Dideu Medichem Co. Ltd | ||
 |
2019-07-06 | 2-METHYL-5-NITROBENZOTRIFLUORIDE
89976-12-5
|
$1.00 | 1KG | 99% | Career Henan Chemical Co |
-
- 2-METHYL-5-NITROBENZOTRIFLUORIDE
89976-12-5
- 98.0%
- Shaanxi Dideu New Materials Co. Ltd
-
- 2-Methyl-5-nitrobenzotrifluoride
89976-12-5
- 99%HPLC
- Shaanxi Dideu Medichem Co. Ltd
-
- 2-METHYL-5-NITROBENZOTRIFLUORIDE
89976-12-5
- $1.00
- 99%
- Career Henan Chemical Co
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