ChemicalBook > CAS DataBase List > 2-METHYL-5-NITROBENZOTRIFLUORIDE

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
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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)
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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
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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.

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N-Bromosuccinimide Price

TCI Chemical
Product number
M2798
Product name
2-Methyl-5-nitrobenzotrifluoride
Packaging
1G
Price
$20
Updated
2025/07/31
TCI Chemical
Product number
M2798
Product name
2-Methyl-5-nitrobenzotrifluoride
Packaging
5G
Price
$69
Updated
2025/07/31
TRC
Product number
M338955
Product name
2-Methyl-5-nitrobenzotrifluoride
Packaging
50g
Price
$470
Updated
2021/12/16
AK Scientific
Product number
J98477
Product name
2-(Trifluoromethyl)-4-nitrotoluene
Packaging
100g
Price
$288
Updated
2021/12/16
Apolloscientific
Product number
PC0422
Product name
2-Methyl-5-nitrobenzotrifluoride
Packaging
100g
Price
$290
Updated
2021/12/16
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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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2-METHYL-5-NITROBENZOTRIFLUORIDE Suppliers

Americas 1 China 179 Europe 1 France 1 Germany 5 India 6 Italy 1 Japan 1 Switzerland 1 United Kingdom 9 United States 31 Global 236
TCI AMERICA
Tel
800-4238616
Fax
+1-888-520-1075 / +1-503-283-1987
Email
sales@tciamerica.com
Country
Americas
ProdList
23653
Advantage
75
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View Lastest Price from 2-METHYL-5-NITROBENZOTRIFLUORIDE manufacturers

Shaanxi Dideu New Materials Co. Ltd
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
Shaanxi Dideu Medichem Co. Ltd
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
Career Henan Chemical Co
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

89976-12-5, 2-METHYL-5-NITROBENZOTRIFLUORIDERelated Search:

4-METHYL-3-NITROBENZOTRIFLUORIDE 2-METHOXY-4-METHYL-5-NITROBENZOTRIFLUORIDE 3-METHYL-4-NITROBENZOTRIFLUORIDE 2,3-Dichloro-6-trifluoromethyl-4-nitrotoluene 2-METHYL-5-NITROBENZOTRIFLUORIDE 4-NITRO-2-(TRIFLUOROMETHYL)BENZOIC ACID 4-NITRO-2-(TRIFLUOROMETHYL)BENZONITRILE 2,4-DIMETHYL-5-NITROBENZOTRIFLUORIDE 4-CHLORO-2-METHYL-3-NITROBENZOTRIFLUORIDE,4-Chloro-2-methyl-5-nitrobenzotrifluoride 98%,4-Chloro-2-methyl-5-nitrobenzotrifluoride98% 5-METHYL-2-NITROBENZOTRIFLUORIDE 2-Methyl-3-nitrobenzotrifluoride 3-METHYL-2-NITROBENZOTRIFLUORIDE 2-Nitro-4,5-bis(trifluoromethyl)benzenamine 3,4-BIS(TRIFLUOROMETHYL)NITROBENZENE 1-BROMO-2-NITRO-4,5-DI(TRIFLUOROMETHYL)BENZENE 2-CHLORO-4-METHYL-5-NITROBENZOTRIFLUORIDE 4, 5-DICHLORO-2-METHYL-3-NITROBENZOTRIFLUORIDE 2-METHYL-4-NITROBENZOTRIFLUORIDE

  • 2-METHYL-5-NITROBENZOTRIFLUORIDE
  • 4-NITRO-2-(TRIFLUOROMETHYL)TOLUENE
  • Benzene,1-Methyl-4-nitro-2-(trifluoroMethyl)-
  • 2-Methyl-5-nitrobenzotrifluoride, 97+%
  • 3-TrifluoroMethyl-4-Methylnitrobenzene
  • 4-Nitro-2-(trifluoromethyl)toluene, 4-Methyl-3-(trifluoromethyl)nitrobenzene
  • 4-nitro-2-trifluorotoluen
  • Ponatinib Impurity 6
  • 4-nitro-2-trifluorotoluene
  • 2-methyl-5-nitrotoluene
  • -5-nitrobenzotrifL
  • PotinibImpurity6
  • Para-methyltrifluoromethylbenzene
  • 89976-12-5
  • Fluorine series