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4-ACETYLPHENYL TRIFLATE

4-ACETYLPHENYL TRIFLATE structure

CAS No:
109613-00-5
Formula:
C9H7F3O4S
Chemical Name:
4-ACETYLPHENYL TRIFLATE
Synonyms:
4'-(Trifluoromethylsulfonyloxy)acetophenone;4-Acetylphenol trifluoromethanesulfonate;4-AcetylphenlylTrifluoromethanesulfonate;4-Acetylphenyl TriflateTrifluoromethanesulfonic Acid 4-Acetylphenyl Ester;4-ACETYLPHENYL TRIFLATE;4-ACETYLPHENYL TRIFLUOROMETHANESULFONATE;4-ACETYLPHENYLTRIFLUOROMETHANESULPHONATE;TRIFLUOROMETHANESULFONIC ACID 4-ACETYLPHENYL ESTER
Categories:
Chemical Reagents > Organic Reagents

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4-ACETYLPHENYL TRIFLATE Basic Attributes

Molecular Weight：

268.21

Exact Mass：

268.00200

DSSTox ID：

DTXSID20377685

HScode：

29147000

Characteristics

PSA：

68.8

XLogP3：

3.19840

Density：

1.418 g/mL at 25 °C(lit.)

Boiling Point：

75-76 °C0.35 mm Hg(lit.)

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.47(lit.)

Safety Information

Transport codes：

UN 2810 6.1/PG 3

wgk germany：

hazard class code：

23/24/25-36/37/38-40

safety instructions：

26-27-36/37/39-45

Marks：

Precautionary statement(s)：

P261-P280-P301 + P310-P305 + P351 + P338-P311

Hazard Statements：

H301-H311-H315-H319-H331-H335-H351

GHS Classification：

|Danger|H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P310, P302+P352, P304+P340, P305+P351+P338, P308+P313, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:268.21
XLogP3:2.4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:268.00171436
Monoisotopic Mass:268.00171436
Topological Polar Surface Area:68.8
Heavy Atom Count:17
Complexity:374
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes