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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
Last updated:2026-05-28 02:57:10
Product description Number Pack Size Price
2-Methyl-5-nitrobenzotrifluoride M2798 1G $23
2-Methyl-5-nitrobenzotrifluoride M2798 5G $75
2-Methyl-5-nitrobenzotrifluoride ≥95% PC0422 5g $21
2-Methyl-5-nitrobenzotrifluoride ≥95% PC0422 25g $55
2-Methyl-5-nitrobenzotrifluoride ≥95% PC0422 100g $204
More product size

2-METHYL-5-NITROBENZOTRIFLUORIDE Properties

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)  Exclamation Mark (GHS07)
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
1
2 0

2-METHYL-5-NITROBENZOTRIFLUORIDE price More Price(72)

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
Product number Packaging Price Buy
M2798 1G $23 Buy
M2798 5G $75 Buy
PC0422 5g $21 Buy
PC0422 25g $55 Buy
PC0422 100g $204 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

2-Methylbenzotrifluoride

13630-19-8

2-METHYL-5-NITROBENZOTRIFLUORIDE

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

13630-19-8
89976-12-5
Synthesis of 2-METHYL-5-NITROBENZOTRIFLUORIDE from 2-Methylbenzotrifluoride

2-METHYL-5-NITROBENZOTRIFLUORIDE Preparation Products And Raw materials

Global( 245)Suppliers
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Changzhou Fullone Chemical Co., Ltd.
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CONIER CHEM AND PHARMA LIMITED
+8618523575427 sales@conier.com China 49979 58

View Lastest Price from 2-METHYL-5-NITROBENZOTRIFLUORIDE manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
2-METHYL-5-NITROBENZOTRIFLUORIDE pictures 2026-06-30 2-METHYL-5-NITROBENZOTRIFLUORIDE
89976-12-5
1KG 98.0% 10000KGS Shaanxi Dideu New Materials Co. Ltd
2-Methyl-5-nitrobenzotrifluoride pictures 2026-02-02 2-Methyl-5-nitrobenzotrifluoride
89976-12-5
50mg 99%HPLC 2000tons Shaanxi Dideu Medichem Co. Ltd
2-METHYL-5-NITROBENZOTRIFLUORIDE pictures 2019-07-06 2-METHYL-5-NITROBENZOTRIFLUORIDE
89976-12-5
$1.00 1KG 99% Career Henan Chemical Co
2-METHYL-5-NITROBENZOTRIFLUORIDE 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 4-nitro-2-trifluorotoluene 2-methyl-5-nitrotoluene -5-nitrobenzotrifL PotinibImpurity6 Para-methyltrifluoromethylbenzene 4-NITRO-2-(TRIFLUOROMETHYL)TOLUENE Ponatinib Impurity 6 89976-12-5 Fluorine series