2-methyl-3-(trifluoromethyl)aniline Cas No 54396-44-0

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2-Methyl-3-(trifluoromethyl)aniline

CAS No:
54396-44-0

Formula:
C8H8F3N

2-Methyl-3-(trifluoromethyl)aniline is a synthetic chemical substance and a nitro compound. It is an intermediate in the synthesis of other chemicals, such as diazonium salts, which are used to make dyes. 2-Methyl-3-(trifluoromethyl)aniline is also an industrial solvent. This potential carcinogen has been shown to cause cancer in animals and humans through its ability to react with DNA. In addition, 2-methyl-3-(trifluoromethyl)aniline has been found to inhibit the activity of target enzymes that are involved in the synthesis of proteins, carbohydrates and lipids.

Synonyms:
Benzenamine,2-methyl-3-(trifluoromethyl)-;2-Methyl-3-(trifluoromethyl)benzenamine;2-Methyl-3-(trifluoromethyl)aniline;3-(Trifluoromethyl)-2-methylaniline;2-Amino-6-(trifluoromethyl)toluene;2-Methyl-3-aminobenzotrifluoride;2-Methyl-3-(trifluoromethyl)phenylamine;3-(Trifluoromethyl)-2-methylbenzenamine

China Export:
From 2018.11 to 2019.11, total export volume of 2-Methyl-3-(trifluoromethyl)aniline from China was 15,179,123KG while ...
... total export value was $82,898,816. The biggest proportion of exporting volume in the last 12 months was 13.04% in 2018.11.

Description
White crystalline powder

Basic Attributes
Molecular Weight：
175.15

Exact Mass：
175.15

BRN：
2832865

EC Number：
259-145-5

UNII：
569607266B

DSSTox ID：
DTXSID9057769

Characteristics
PSA：
26

XLogP3：
2.5

Appearance：
White Crystalline Powder

Density：
1.2±0.1 g/cm3

Melting Point：
38-42 °C(lit.)

Boiling Point：
62-64°C4mm

Flash Point：
>210 °F

Refractive Index：
1.481

Safety Information
Hazard category：
6.1

Transport codes：
2811

wgk germany：
3

hazard class code：
36/37/38-26/27/28

safety instructions：
26-36-24/25

Marks：
Xi,T,T+

Hazard note：
Toxic

Precautionary statement(s)：
P305 + P351 + P338

Hazard Statements：
H315-H319-H335

GHS Classification：
|Danger|H302 (31.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P284, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 60 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Use and Manufacturing
Preparation of 2-Methyl-3-Trifluoromethyl-Aniline C. The CH2 Cl2 extracts are dried over K2 CO3 and evaporated to give 2-methyl-3-trifluoromethyl-aniline (MTA) (6.5 g, 96percent yield), an oil which solidifies on standing. STR13 iv.) A mixture of 2-methyl-3-trifluoromethylaniline (368 g, 2.1 moles) and 2-chloronicotinic acid (158.0 9, 1.0 mole) in 400 ml of water is heated at 100° C. for 24 hours together with p-toluenesulfonic acid (15.0 g) monohydrate as the acid catalyst. Potassium hydroxide (ca. 145 g) in water (255 ml) is added and the pH is maintained above 11. After diluting the reaction mixture to 1.2 liters with water, the mixture is cooled to 50° C., adjusted to pH 11, treated with 7 g of a decolorizing charcoal and 15 g of a filter aid, and clarified by filtration. The filtrate is diluted with 750 ml of water and the pH is adjusted to 5.0 with concentrated sulfuric acid.iii.) 2-methyl-3-trifluoromethylpivalanilide (10.0 g)is hydrolyzed by refluxing in concentrated HBr (40 ml, 48percent) for 3 hours. The mixture is cooled to 20° C. and poured onto ice-water (40.0 g). The pH is adjusted to 9 with concentrated NaOH and the mixture is extracted with two. 30 ml portions of CH2 Cl2. The CH2 Cl2 extracts are dried over K2 CO3 and evaporated to give 2-methyl-3-trifluoromethyl-aniline (MTA) (6.5 g, 96percent yield), an oil which solidifies on standing. STR13Following the procedure of Example 1, the following substituted aniline compounds:...3-fluoro-2-methylaniline3-iodo-2-methylaniline3-trifluoromethyl-2-methylaniline560 g of 6-chloro-2-chloromethyl-3-trifluoromethylaniline hydrochloride was weighed into a pressure reactor, and ethanol, a catalyst Pd/C, and a base were added. The air in the system was replaced with hydrogen, and the system was reacted under a pressure of 4 kg of hydrogen for 48 hours, cooled, filtered, solvent-removed, and the residue was distilled under reduced pressure to obtain 262 g of a crystalline solid. The yield was 75percent, and the purity of the GC was more than 99percent.General procedure: An equimolar mixture of General procedure: An equimolar mixture of

Computed Properties
Molecular Weight:175.15
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:175.06088375
Monoisotopic Mass:175.06088375
Topological Polar Surface Area:26
Heavy Atom Count:12
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-Methyl-3-(trifluoromethyl)aniline CAS No.: 54396-44-0

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