CAS 708-64-5|2,2,2,3'-Tetrafluoroacetophenone|2,2,2-trifluoro-1-(3-fluorophenyl)ethanone|2,2,2-trifluoro-1-(3-fluorophenyl)ethan-1-one|1-(3-Fluorophenyl)-2,2,2-trifluoroethan-1-one|2,2,2,3'-Tetraflu...

Molecular Formula

C₈H₄F₄O

Molecular Mass

192.1103728

Exact Mass

192.01982763

InChI

InChI=1S/C8H4F4O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4H

InChIKey

NQSPTMFCJGKOQJ-UHFFFAOYSA-N

Canonic Smiles

Fc1cccc(c1)C(=O)C(F)(F)F

Isomeric Smiles

c1cc(cc(c1)C(=O)C(F)(F)F)F

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.805924

LogD (pH = 7.4)

2.805924

Log P

2.805924

Molar Refractivity

37.6874

Polarizability

13.393145

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

69723

Synonyms

2,2,2,3'-Tetrafluoroacetophenone1-(3-Fluorophenyl)-2,2,2-trifluoroethan-1-one2,2,2,3'-Tetrafluoroacetophenone 99%2,2,2,3′-四氟苯乙酮α,α,α,3-四氟苯乙酮α,α,α,3-Tetrafluoroacetophenone2,2,2,3′-Tetrafluoroacetophenone

IUPAC Traditional name

2,2,2-trifluoro-1-(3-fluorophenyl)ethanone

IUPAC name

2,2,2-trifluoro-1-(3-fluorophenyl)ethan-1-one

MDL Number

MFCD00039236

PubChem SID

16097543824865110

Beilstein Number

1872788

Product Information

Purity

99%

Linear Formula

FC6H4COCF3

MSDS Link

Download link

TSCA Listed

true

Storage Warning

IRRITANT, FLAMMABLE

Highly Flammable/Irritant

UN Number

1224

European Hazard Symbols

Flammable (F)

Irritant (Xi)

GHS Precautionary statements

P210-P261-P305+P351+P338

GHS Pictograms

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

GHS Hazard statements

H225-H315-H319-H335

Safety Statements

16-26-36

GHS Signal Word

Danger

Risk Statements

11-36/37/38

Hazard Class

Packing Group

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

RID/ADR

UN 1224 3/PG 2

German water hazard class

Physical Property