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3-Methoxy-5-nitrobenzotrifluoride

3-Methoxy-5-nitrobenzotrifluoride structure

CAS No:
328-79-0
Formula:
C8H6F3NO3
Chemical Name:
3-Methoxy-5-nitrobenzotrifluoride
Synonyms:
TIMTEC-BBSBB010016;5-methoxy-3-nitrobenzotrifluoride;3-METHOXY-5-NITROBENZOTRIFLUORIDE;3-Nitro-5-(trifluoroMethyl)anisole;3-Methoxy-5-nitrobenzotrifluoride99%;3-Methoxy-5-nitrobenzotrifluoride99%;1-Methoxy-3-nitro-5-(trifluoromethyl)benzene
Categories:
Organic Chemistry > Organic Fluorine Compound

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3-Methoxy-5-nitrobenzotrifluoride Basic Attributes

Molecular Weight：

221.13

Exact Mass：

221.029984

DSSTox ID：

DTXSID50334403

HScode：

2909309090

Characteristics

PSA：

XLogP3：

2.6

Density：

1.4±0.1 g/cm3

Melting Point：

36-38 °C(lit.)

Flash Point：

>230 °F

Refractive Index：

1.472

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1759 8/PG 2

wgk germany：

hazard class code：

34-36/38-21/22

safety instructions：

26-27-28-36/37/39-45

Marks：

C,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Methoxy-5-nitrobenzotrifluoride Use and Manufacturing

To a solution of 1 , _-dinitro-5-(trifluoromethyl)benzene (10 g, 42.4 mmol) in absolute methanol (100 mL) was added sodium methanolate (3.43 g, 63.5 mmol) in absolute methanol (20 mL). The red alcoholic solution was refluxed for 1 h, then concentrated to remove solvent, diluted with ethyl acetate (80 mL) and water (30 mL). Separated organic part was dried over Na2S04, filtered and concentrated to get the title product (8.5 g) as a red solidLC-MS (ESI): m/z no [M + H]+ ; 1.85 min (ret time).D68

Computed Properties

Molecular Weight:221.13
XLogP3:2.6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:221.02997754
Monoisotopic Mass:221.02997754
Topological Polar Surface Area:55
Heavy Atom Count:15
Complexity:238
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Methoxy-5-nitrobenzotrifluoride

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
Learn More Other Chemicals

3-Methoxy-5-nitrobenzotrifluoride

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