Basic information
- CAS
708-64-5- Standard SMILES
O=C(c1cccc(F)c1)C(F)(F)F- InChIKey
NQSPTMFCJGKOQJ-UHFFFAOYSA-N- Molecular formula
- C8H4F4O
- Average molar mass
- 192.11 g/mol
- Monoisotopic mass
- 192.0198274
Names & identifiers
- Preferred name
- Ethanone, 2,2,2-trifluoro-1-(3-fluorophenyl)-
- IUPAC
- 2,2,2-trifluoro-1-(3-fluorophenyl)ethanone
- English name
- 2,2,2,3'-TETRAFLUOROACETOPHENONE
- Molecular formula
- C8H4F4O
- Molecular weight
- 192.11
Names & synonyms
2,2,2-Trifluoro-1-(3-fluorophenyl)ethan-1-onem-FluorotrifluoroacetophenoneEthanone, 2,2,2-trifluoro-1-(3-fluorophenyl)-Acetophenone, 2,2,2,3'-tetrafluoro-EINECS 211-903-6NSC 158170m,alpha,alpha,alpha-TetrafluoroacetophenoneDTXSID4061042RefChem:592539DTXCID9046813211-903-6708-64-5
Show more names
α,α,α,3-tetrafluoroacetophenone2,2,2,3'-Trtrafluoroacetophenone2,2,2,3'-Tetrafluoroacetophenone99%2,2,2,3'-Tetrafluoroacetophenone 99%3'-FLUORO-2,2,2-TRIFLUOROACETOPHENONE
2,2,2,3'-Tetrafluoroacetophenone2,2,2-trifluoro-1-(3-fluorophenyl)ethanoneMFCD00039236NSC158170SCHEMBL1273634a,a,a,3-TetrafluoroacetophenoneSCHEMBL30166168Acetophenone,2,2,3'-tetrafluoro-
Database identifiers
- CAS
708-64-5- PubChem CID
- 69723
- DTXSID
DTXSID4061042- EC Number
- 211-903-6
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Boiling point
- 79 °C50 · 79 °C50 mm Hg(lit.)
- Density
- 1.372 g/mL · 1.372 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.444(lit.)
- Flash point
- 64 °F · 64 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- color
- Colorless to pale yellow
- Specific Gravity
- 1.372 · 1.372
- BRN
- 1872788 · 1872788
- InChI
- 1S/C8H4F4O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4H
- InChIKey
- NQSPTMFCJGKOQJ-UHFFFAOYSA-N
- SMILES
- Fc1cccc(c1)C(=O)C(F)(F)F
- CAS DataBase Reference
- 708 · 708-64-5(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · Ethanone, 2,2,2-trifluoro-1-(3-fluorophenyl)- (708-64-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1224 3/PG 2
- hs_code
- 29147000
- risk_code
- 11-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi
- hazard_note
- Irritant
- safety_code
- 16-26-36
- hazard_class
- 3.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanone, 2,2,2-trifluoro-1-(3-fluorophenyl)-: INACTIVE
Applications
Uses2,2,2,3′-Tetrafluoroacetophenone (m-fluorotrifluoroacetophenone, α,α,α,3-Tetrafluoroacetophenone) is a fluorine substituted aryl alkyl ketone. Electron transfer quenching of m-fluorotrifluoroacetophenone has been studied.
General Description2,2,2,3′-Tetrafluoroacetophenone (m-fluorotrifluoroacetophenone, α,α,α,3-Tetrafluoroacetophenone) is a fluorine substituted aryl alkyl ketone. Electron transfer quenching of m-fluorotrifluoroacetophenone has been studied.
Suppliers57 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
安徽合诺生物科技有限公司0555-2761852
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Aladdin Scientific[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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