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2,2,2,3′-Tetrafluoroacetophenone

2,2,2,3′-Tetrafluoroacetophenone structure

CAS No:
708-64-5
Formula:
C8H4F4O
Chemical Name:
2,2,2,3′-Tetrafluoroacetophenone
Synonyms:
Ethanone,2,2,2-trifluoro-1-(3-fluorophenyl)-;Acetophenone,2,2,2,3′-tetrafluoro-;2,2,2-Trifluoro-1-(3-fluorophenyl)ethanone;m,α,α,α-Tetrafluoroacetophenone;m-Fluoro-α,α,α-trifluoroacetophenone;α,α,α-Trifluoro-m-fluoroacetophenone;m-Fluorophenyl trifluoromethyl ketone;NSC 158170;2,2,2,3′-Tetrafluoroacetophenone;3-Fluorophenyl trifluoromethyl ketone;1-(3-Fluorophenyl)-2,2,2-trifluoroethanone;2,2,2-Trifluoro-1-(3-fluorophenyl)-1-ethanone;2,2,2-Trifluoro-1-(3-fluorophenyl)ethan-1-one

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2,2,2,3′-Tetrafluoroacetophenone Basic Attributes

Molecular Weight：

192.11

Exact Mass：

192.11

EC Number：

211-903-6

NSC Number：

158170

DSSTox ID：

DTXSID4061042

HScode：

2914700090

Characteristics

PSA：

17.1

XLogP3：

2.9

Density：

1.4±0.1 g/cm3

Boiling Point：

79°C at 760 mmHg

Flash Point：

62.3±20.1 °C

Refractive Index：

1.432

Safety Information

Packing level：

Ⅱ

Hazard category：

3.1

Transport codes：

1224

wgk germany：

hazard class code：

safety instructions：

S16-S26-S36

Marks：

F: Flammable;Xi: Irritant;

Precautionary statement(s)：

P210-P261-P305 + P351 + P338

Hazard Statements：

H225-H315-H319-H335

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,2,2,3′-Tetrafluoroacetophenone Use and Manufacturing

Methods of Manufacturing

General procedure: To a flame dried sealing tube were added Pd(OAc)2 (2.25 mg, 0.01 mmol), (rac)-BINAP (12.45 mg, 0.02 mmol), freshly distilled anhydrous tetrahydrofuran (1.0mL). The resulting mixture was allowed to stir for 30 mins. The ketone 2 (0.2 mmol) and vinyl cyclopropane 1 (0.5 mmol) were added subsequently. The resulting reaction mixture was stirred at room temperature for 72 h. After the volatile was removed in vacuo, the ratio of two diastereoisomers was determined by crude 1H NMR. The yieldwas determined by NMR using mesitylene as the internal standard. Then the resulting residue was purified by preparative TLC to afford pure sample for characterization.

Manufacturing Info：

Ethanone, 2,2,2-trifluoro-1-(3-fluorophenyl)-: INACTIVE

Computed Properties

Molecular Weight:192.11
XLogP3:2.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:192.01982740
Monoisotopic Mass:192.01982740
Topological Polar Surface Area:17.1
Heavy Atom Count:13
Complexity:199
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: cobalt sulfide; methyl ethyl ketoxime; 1-butyne; nimesulide drug; 2-pentanone; lactose monohydrate

Guide of 2,2,2,3′-Tetrafluoroacetophenone

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

2,2,2,3′-Tetrafluoroacetophenone

SDS

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