2-METHYL-5-NITROBENZOTRIFLUORIDE
- Product Name
- 2-METHYL-5-NITROBENZOTRIFLUORIDE
- CAS No.
- 89976-12-5
- Chemical Name
- 2-METHYL-5-NITROBENZOTRIFLUORIDE
- Synonyms
- PotinibImpurity6;-5-nitrobenzotrifL;Ponatinib Impurity 6;2-methyl-5-nitrotoluene;4-nitro-2-trifluorotoluen;4-nitro-2-trifluorotoluene;2-METHYL-5-NITROBENZOTRIFLUORIDE;Para-methyltrifluoromethylbenzene;4-NITRO-2-(TRIFLUOROMETHYL)TOLUENE;3-TrifluoroMethyl-4-Methylnitrobenzene
- CBNumber
- CB4308218
- Molecular Formula
- C8H6F3NO2
- Formula Weight
- 205.13
- MOL File
- 89976-12-5.mol
2-METHYL-5-NITROBENZOTRIFLUORIDE Property
- 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
- 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
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H302Harmful if swallowed
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.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405Store locked up.
N-Bromosuccinimide Price
- Product number
- M2798
- Product name
- 2-Methyl-5-nitrobenzotrifluoride
- Packaging
- 1G
- Price
- $20
- Updated
- 2025/07/31
- Product number
- M2798
- Product name
- 2-Methyl-5-nitrobenzotrifluoride
- Packaging
- 5G
- Price
- $69
- Updated
- 2025/07/31
- Product number
- M338955
- Product name
- 2-Methyl-5-nitrobenzotrifluoride
- Packaging
- 50g
- Price
- $470
- Updated
- 2021/12/16
- Product number
- J98477
- Product name
- 2-(Trifluoromethyl)-4-nitrotoluene
- Packaging
- 100g
- Price
- $288
- Updated
- 2021/12/16
- Product number
- PC0422
- Product name
- 2-Methyl-5-nitrobenzotrifluoride
- Packaging
- 100g
- Price
- $290
- Updated
- 2021/12/16
2-METHYL-5-NITROBENZOTRIFLUORIDE Chemical Properties,Usage,Production
Chemical Properties
light yellow or crystalline
Uses
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
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View Lastest Price from 2-METHYL-5-NITROBENZOTRIFLUORIDE manufacturers
- Product
- 2-METHYL-5-NITROBENZOTRIFLUORIDE 89976-12-5
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 98.0%
- Supply Ability
- 10000KGS
- Release date
- 2025-06-06
- Product
- 2-Methyl-5-nitrobenzotrifluoride 89976-12-5
- Price
- US $0.00-0.00/KG
- Min. Order
- 50mg
- Purity
- 99%HPLC
- Supply Ability
- 2000tons
- Release date
- 2020-01-08
- Product
- 2-METHYL-5-NITROBENZOTRIFLUORIDE 89976-12-5
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- Customized
- Release date
- 2019-06-24