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2-AMINO-5-METHOXYBENZOTRIFLUORIDE

2-AMINO-5-METHOXYBENZOTRIFLUORIDE structure

CAS No:
53903-49-4
Formula:
C8H8F3NO
Chemical Name:
2-AMINO-5-METHOXYBENZOTRIFLUORIDE
Synonyms:
2-AMINO-5-METHOXYBENZOTRIFLUORIDE;5-METHOXY-2-AMINE-BENZOTRIFLUORIDE;4-METHOXY-2-(TRIFLUOROMETHYL)PHENYLAMINE;4-METHOXY-2-(TRIFLUOROMETHYL)ANILINE;2-Amino-5-methoxybenzotrifluoride 98%;2-Amino-5-methoxybenzotrifluoride98%;2-Aamino-5-ethoxybenzotrifluoride;4-Amino-3-(trifluoromethyl)anisole, 4-Methoxy-2-(trifluoromethyl)aniline
Categories:
Organic Chemistry > Organic Fluorine Compound

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2-AMINO-5-METHOXYBENZOTRIFLUORIDE Basic Attributes

Molecular Weight：

191.15

Exact Mass：

191.055801

DSSTox ID：

DTXSID20626807

HScode：

2922299090

Characteristics

PSA：

35.2

XLogP3：

1.7

Density：

1.3±0.1 g/cm3

Boiling Point：

234.5°C at 760 mmHg

Flash Point：

95.6±27.3 °C

Refractive Index：

1.477

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

2810

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P260, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P314, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P314, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-AMINO-5-METHOXYBENZOTRIFLUORIDE Use and Manufacturing

(b) 4-methoxy-1-nitro-2-(trifluoromethyl)benzene (9.0 g, 40.7 mmol)Soluble in ethyl acetate (50 mL) and methanol (100 mL), Add 10percent palladium on carbon (1.2g, 50percent water), With hydrogen balloon, Stir at room temperature overnight.Filter after the reaction, The filtrate was concentrated under reduced pressure to give a yellow oil (7.7 g, 99.0percent).Used directly for the next step.Under nitrogen or argon, 4-methoxy-aniline 0.4 mmol, 0.2 mmol, Ir (ppy) 3(2mg) were added to the reaction and DMF1 ml flask, andthen the blue LED lights (7W) irradiation conditions at room temperature until completeconversion of trivalent iodine reagent completion of the reaction. Add 10 ml ofsaturated Na 2CO 3Aqueous solution, and extracted three times with ethyl acetate, theorganic layer was washed with water and once with saturated brine, dried over anhydrousNa 2SO 4The organic layer was dried. Column chromatography (eluent: petroleum ether 60-90: ethyl acetate = 15: 1-8: 1) to give the product in 65percent yield.Trifluoromethyl preparation of aromatic amines of the embodiment according to the present embodiment, the aromatic amine is p-anisidine, and other reactions after the same procedures as in Example 28 treatment.

Computed Properties

Molecular Weight:191.15
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:191.05579836
Monoisotopic Mass:191.05579836
Topological Polar Surface Area:35.2
Heavy Atom Count:13
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-Amino-5-methoxybenzotrifluoride

CAS No.: 53903-49-4

Content: 99.00%

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Guide of 2-AMINO-5-METHOXYBENZOTRIFLUORIDE

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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2-AMINO-5-METHOXYBENZOTRIFLUORIDE

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